[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(4-fluoro-3-methylphenyl)methanol

C17H26FNO — CID 79138278

IUPAC[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(4-fluoro-3-methylphenyl)methanol
SMILESCc1cc(C(O)C2(CN)CCC(C)(C)CC2)ccc1F
InChIInChI=1S/C17H26FNO/c1-12-10-13(4-5-14(12)18)15(20)17(11-19)8-6-16(2,3)7-9-17/h4-5,10,15,20H,6-9,11,19H2,1-3H3
InChIKeyBMCWHOYXGBBUAI-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.71
Rot. Bonds3

About [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(4-fluoro-3-methylphenyl)methanol

[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(4-fluoro-3-methylphenyl)methanol (PubChem CID 79138278) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(4-fluoro-3-methylphenyl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(4-fluoro-3-methylphenyl)methanol
PubChem CID79138278
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(4-fluoro-3-methylphenyl)methanol
SMILESCc1cc(C(O)C2(CN)CCC(C)(C)CC2)ccc1F
InChIInChI=1S/C17H26FNO/c1-12-10-13(4-5-14(12)18)15(20)17(11-19)8-6-16(2,3)7-9-17/h4-5,10,15,20H,6-9,11,19H2,1-3H3
InChIKeyBMCWHOYXGBBUAI-UHFFFAOYSA-N
XLogP3.71
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(4-fluoro-3-methylphenyl)methanol 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

[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(4-bromo-3-fluorophenyl)methanol
CID 81440704
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(4-chlorophenyl)methanol
CID 79134995
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(3,5-dimethylphenyl)methanol
CID 79137995
[1-(aminomethyl)cyclobutyl]-(3,4-difluorophenyl)methanol
CID 79137860
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(3-chloro-4-methoxyphenyl)methanol
CID 79123439
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(2,4,6-trimethylphenyl)methanol
CID 79123649
1-[1-(aminomethyl)cyclobutyl]-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 116958754
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-thiophen-3-ylmethanol
CID 79135088
[1-(aminomethyl)-3-methylcyclopentyl]-(3,4-dimethylphenyl)methanol
CID 79138726
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(3-ethoxyphenyl)methanol
CID 79126025
[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(4-fluoro-3-methylphenyl)methanol
CID 79137609
[4-(aminomethyl)oxan-4-yl]-(3-chloro-4-fluorophenyl)methanol
CID 81156337

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(4-fluoro-3-methylphenyl)methanol?
The IUPAC name of [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(4-fluoro-3-methylphenyl)methanol (CID 79138278) is [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(4-fluoro-3-methylphenyl)methanol.
What is the SMILES notation for [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(4-fluoro-3-methylphenyl)methanol?
The canonical SMILES for [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(4-fluoro-3-methylphenyl)methanol is Cc1cc(C(O)C2(CN)CCC(C)(C)CC2)ccc1F.
What is the InChIKey of [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(4-fluoro-3-methylphenyl)methanol?
The InChIKey is BMCWHOYXGBBUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-12-10-13(4-5-14(12)18)15(20)17(11-19)8-6-16(2,3)7-9-17/h4-5,10,15,20H,6-9,11,19H2,1-3H3.
What are the key properties of [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(4-fluoro-3-methylphenyl)methanol?
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(4-fluoro-3-methylphenyl)methanol has a molecular weight of 279.40 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(4-fluoro-3-methylphenyl)methanol is sourced from PubChem (CID 79138278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).