Chemical ID: 4500163

CC(CC12CC3CC(C1)CC(C3)C2)NCc4ccccc4O
Chemical ID:
4500163
Name [?]:
2-[[2-(1-adamantyl)-1-methyl-ethyl]aminomethyl]phenol
SMILES [?]:
CC(CC12CC3CC(C1)CC(C3)C2)NCc4ccccc4O
InChi [?]:
InChI=1/C20H29NO/c1-14(21-13-18-4-2-3-5-19(18)22)9-20-10-15-6-16(11-20)8-17(7-15)12-20/h2-5,14-17,21-22H,6-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,18,19,17,20,7,10,12,3,9,5,13,15,2,8,6,11,16,21,4,14,22/E:(6,7,8)(10,11,12)(15,16,17)/rA:22cCCCCCCCCCCCCCNCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s8;s10;s6s11;s4s11;s2;s14;s15;s16;d17;s18;d19;d16s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H29NO
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:10.016
Area:458.771
Solvation:-1.45324
Coulombic:-27.7201
Bond Count [?]
All:25
Single:22
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:299.45
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:6.26
LogP (Chemaxon):3.72

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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