Chemical ID: 4441635

CC(C)c1cccc(c1)OCCCN(C)C
Chemical ID:
4441635
Name [?]:
3-(3-isopropylphenoxy)-N,N-dimethyl-propan-1-amine
SMILES [?]:
CC(C)c1cccc(c1)OCCCN(C)C
InChi [?]:
InChI=1/C14H23NO/c1-12(2)13-7-5-8-14(11-13)16-10-6-9-15(3)4/h5,7-8,11-12H,6,9-10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,15,16,6,12,5,7,13,11,9,2,4,8,14,10/E:(1,2)(3,4)/rA:16nCCCCCCCCCOCCCNCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s8;s10;s11;s12;s13;s14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H23NO
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.78616
Area:446.024
Solvation:-2.36443
Coulombic:-14.1263
Bond Count [?]
All:16
Single:13
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:221.339
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.55
LogP (Chemaxon):3.02

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Descriptor Annotations

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