2-[1-(aminomethyl)cyclooctyl]-1-phenylbutan-2-ol

C19H31NO — CID 80610750

IUPAC2-[1-(aminomethyl)cyclooctyl]-1-phenylbutan-2-ol
SMILESCCC(O)(Cc1ccccc1)C1(CN)CCCCCCC1
InChIInChI=1S/C19H31NO/c1-2-19(21,15-17-11-7-6-8-12-17)18(16-20)13-9-4-3-5-10-14-18/h6-8,11-12,21H,2-5,9-10,13-16,20H2,1H3
InChIKeyWLIQJXLXQKCBCV-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.06
Rot. Bonds5

About 2-[1-(aminomethyl)cyclooctyl]-1-phenylbutan-2-ol

2-[1-(aminomethyl)cyclooctyl]-1-phenylbutan-2-ol (PubChem CID 80610750) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclooctyl]-1-phenylbutan-2-ol.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclooctyl]-1-phenylbutan-2-ol
PubChem CID80610750
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-[1-(aminomethyl)cyclooctyl]-1-phenylbutan-2-ol
SMILESCCC(O)(Cc1ccccc1)C1(CN)CCCCCCC1
InChIInChI=1S/C19H31NO/c1-2-19(21,15-17-11-7-6-8-12-17)18(16-20)13-9-4-3-5-10-14-18/h6-8,11-12,21H,2-5,9-10,13-16,20H2,1H3
InChIKeyWLIQJXLXQKCBCV-UHFFFAOYSA-N
XLogP4.06
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[1-(aminomethyl)cyclooctyl]-1-phenylbutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(aminomethyl)cyclobutyl]-1-phenylbutan-2-ol
CID 79123735
1-[1-(aminomethyl)cyclohexyl]-1-phenylpropan-1-ol
CID 79135824
2-[1-(aminomethyl)cyclopentyl]-1-methoxybutan-2-ol
CID 79124394
1-[1-(aminomethyl)cyclopentyl]-1-phenylbutan-1-ol
CID 79135376
1-(2-hydroxy-1-phenylbutan-2-yl)-3-methylcyclohexane-1-carbonitrile
CID 79128414
3-(2-hydroxy-1-phenylbutan-2-yl)-1,1-dioxothiolane-3-carbonitrile
CID 115338353
1-(2-hydroxy-1-phenylbutan-2-yl)-4-methylcyclohexane-1-carbonitrile
CID 79127168
azane;3-benzylpentan-3-ol
CID 173295411
2-[1-(aminomethyl)cyclopropyl]-1-phenylmethoxypropan-2-ol
CID 165446723
(1-benzylcycloheptyl)methanamine
CID 65391702
(1-benzylcyclooctyl)methanamine
CID 80602159
1-amino-N-(2,2-dimethyl-3-phenylpropyl)cyclopentane-1-carboxamide
CID 119329656

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclooctyl]-1-phenylbutan-2-ol?
The IUPAC name of 2-[1-(aminomethyl)cyclooctyl]-1-phenylbutan-2-ol (CID 80610750) is 2-[1-(aminomethyl)cyclooctyl]-1-phenylbutan-2-ol.
What is the SMILES notation for 2-[1-(aminomethyl)cyclooctyl]-1-phenylbutan-2-ol?
The canonical SMILES for 2-[1-(aminomethyl)cyclooctyl]-1-phenylbutan-2-ol is CCC(O)(Cc1ccccc1)C1(CN)CCCCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclooctyl]-1-phenylbutan-2-ol?
The InChIKey is WLIQJXLXQKCBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-2-19(21,15-17-11-7-6-8-12-17)18(16-20)13-9-4-3-5-10-14-18/h6-8,11-12,21H,2-5,9-10,13-16,20H2,1H3.
What are the key properties of 2-[1-(aminomethyl)cyclooctyl]-1-phenylbutan-2-ol?
2-[1-(aminomethyl)cyclooctyl]-1-phenylbutan-2-ol has a molecular weight of 289.46 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclooctyl]-1-phenylbutan-2-ol is sourced from PubChem (CID 80610750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).