3-(aminomethyl)-5-ethyl-3-phenylnonan-2-ol

C18H31NO — CID 66432776

IUPAC3-(aminomethyl)-5-ethyl-3-phenylnonan-2-ol
SMILESCCCCC(CC)CC(CN)(c1ccccc1)C(C)O
InChIInChI=1S/C18H31NO/c1-4-6-10-16(5-2)13-18(14-19,15(3)20)17-11-8-7-9-12-17/h7-9,11-12,15-16,20H,4-6,10,13-14,19H2,1-3H3
InChIKeyBJXVGVPXFOYCLO-UHFFFAOYSA-N
MW277.45 g/mol
LogP3.87
Rot. Bonds9

About 3-(aminomethyl)-5-ethyl-3-phenylnonan-2-ol

3-(aminomethyl)-5-ethyl-3-phenylnonan-2-ol (PubChem CID 66432776) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 3-(aminomethyl)-5-ethyl-3-phenylnonan-2-ol.

Molecular Properties

Compound Name3-(aminomethyl)-5-ethyl-3-phenylnonan-2-ol
PubChem CID66432776
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name3-(aminomethyl)-5-ethyl-3-phenylnonan-2-ol
SMILESCCCCC(CC)CC(CN)(c1ccccc1)C(C)O
InChIInChI=1S/C18H31NO/c1-4-6-10-16(5-2)13-18(14-19,15(3)20)17-11-8-7-9-12-17/h7-9,11-12,15-16,20H,4-6,10,13-14,19H2,1-3H3
InChIKeyBJXVGVPXFOYCLO-UHFFFAOYSA-N
XLogP3.87
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(3-amino-1-hydroxypropyl)phenyl]-3-ethylheptane-1,1-diol
CID 91159360
2-cyano-5-ethyl-2-(2-ethylhexyl)-3,3-diphenylnonanoic acid
CID 66702233
3-benzyl-5-ethylnonan-3-ol
CID 79007570
5-amino-4,4-diphenylpentan-2-ol
CID 24973034
2,2-bis[(2S)-2-ethylhexyl]propane-1,3-diol
CID 23628776
2-(aminomethyl)-4-ethyl-2-(2-methylpropyl)octan-1-ol
CID 106507791
2-(2-ethylhexyl)-2-(2-fluorophenyl)propane-1,3-diol
CID 79447728
4-ethyl-2-(2-methylphenyl)octan-2-amine
CID 63408267
3-(aminomethyl)-4-(4-bromophenyl)-3-phenylbutan-2-ol
CID 66431961
2,2,4-triethyloctan-1-amine
CID 63522335
3-(aminomethyl)-4-(3-methoxyphenyl)-3-phenylbutan-2-ol
CID 66432579
2-(aminomethyl)-2,4-diethyloctan-1-ol
CID 106508240

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-ethyl-3-phenylnonan-2-ol?
The IUPAC name of 3-(aminomethyl)-5-ethyl-3-phenylnonan-2-ol (CID 66432776) is 3-(aminomethyl)-5-ethyl-3-phenylnonan-2-ol.
What is the SMILES notation for 3-(aminomethyl)-5-ethyl-3-phenylnonan-2-ol?
The canonical SMILES for 3-(aminomethyl)-5-ethyl-3-phenylnonan-2-ol is CCCCC(CC)CC(CN)(c1ccccc1)C(C)O.
What is the InChIKey of 3-(aminomethyl)-5-ethyl-3-phenylnonan-2-ol?
The InChIKey is BJXVGVPXFOYCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-4-6-10-16(5-2)13-18(14-19,15(3)20)17-11-8-7-9-12-17/h7-9,11-12,15-16,20H,4-6,10,13-14,19H2,1-3H3.
What are the key properties of 3-(aminomethyl)-5-ethyl-3-phenylnonan-2-ol?
3-(aminomethyl)-5-ethyl-3-phenylnonan-2-ol has a molecular weight of 277.45 g/mol, XLogP of 3.87, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-ethyl-3-phenylnonan-2-ol is sourced from PubChem (CID 66432776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).