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Chemical ID: 3967981
Chemical ID:
3967981
Name [?]:
4-(2-methylaminopropyl)phenol
SMILES [?]:
CC(Cc1ccc(cc1)O)NC
InChi [?]:
InChI=1/C10H15NO/c1-8(11-2)7-9-3-5-10(12)6-4-9/h3-6,8,11-12H,7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,5,9,6,8,3,2,4,7,11,10/E:(3,4)(5,6)/rA:12cCCCCCCCCCONC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s2;s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H15NO |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.77197 |
Area: | 343.93 |
Solvation: | -1.82628 |
Coulombic: | -25.8466 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 165.232 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 1.75 |
LogP (Chemaxon): | 0.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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