[3-[(3,5-dimethylcyclohexyl)oxymethyl]-2-fluorophenyl]methanamine

C16H24FNO — CID 107114159

IUPAC[3-[(3,5-dimethylcyclohexyl)oxymethyl]-2-fluorophenyl]methanamine
SMILESCC1CC(C)CC(OCc2cccc(CN)c2F)C1
InChIInChI=1S/C16H24FNO/c1-11-6-12(2)8-15(7-11)19-10-14-5-3-4-13(9-18)16(14)17/h3-5,11-12,15H,6-10,18H2,1-2H3
InChIKeyWALIGXGYKFJWJY-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.63
Rot. Bonds4

About [3-[(3,5-dimethylcyclohexyl)oxymethyl]-2-fluorophenyl]methanamine

[3-[(3,5-dimethylcyclohexyl)oxymethyl]-2-fluorophenyl]methanamine (PubChem CID 107114159) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is [3-[(3,5-dimethylcyclohexyl)oxymethyl]-2-fluorophenyl]methanamine.

Molecular Properties

Compound Name[3-[(3,5-dimethylcyclohexyl)oxymethyl]-2-fluorophenyl]methanamine
PubChem CID107114159
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name[3-[(3,5-dimethylcyclohexyl)oxymethyl]-2-fluorophenyl]methanamine
SMILESCC1CC(C)CC(OCc2cccc(CN)c2F)C1
InChIInChI=1S/C16H24FNO/c1-11-6-12(2)8-15(7-11)19-10-14-5-3-4-13(9-18)16(14)17/h3-5,11-12,15H,6-10,18H2,1-2H3
InChIKeyWALIGXGYKFJWJY-UHFFFAOYSA-N
XLogP3.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-[(3,5-dimethylcyclohexyl)oxymethyl]-2-fluorophenyl]methanamine 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

3-[(3,5-dimethylcyclohexyl)oxymethyl]pyridin-2-amine
CID 64730438
[2-[(3,5-dimethylcyclohexyl)oxymethyl]phenyl]boronic acid
CID 64729414
2-[(3,5-dimethylcyclohexyl)oxymethyl]benzenecarbothioamide
CID 64728595
[4-[(3,5-dimethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methanamine
CID 64731019
N-[[2-[(3,5-dimethylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine
CID 64728649
4-[(3,5-dimethylcyclohexyl)oxymethyl]-3-(trifluoromethyl)aniline
CID 81118075
3-chloro-2-[(3,5-dimethylcyclohexyl)oxymethyl]aniline
CID 64731369
3-[(3,5-dimethylcyclohexyl)oxymethyl]-4-fluorobenzoic acid
CID 64731427
6-[(3,5-dimethylcyclohexyl)oxymethyl]-N-methylpyridin-2-amine
CID 79239047
[2-fluoro-3-(3-methylbutan-2-yloxymethyl)phenyl]methanamine
CID 107114173
[2-[(3,5-dimethylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine
CID 64729828
4-[(2-bromo-3-fluorophenyl)methoxy]-2,6-dimethyloxane
CID 113369277

Frequently Asked Questions

What is the IUPAC name of [3-[(3,5-dimethylcyclohexyl)oxymethyl]-2-fluorophenyl]methanamine?
The IUPAC name of [3-[(3,5-dimethylcyclohexyl)oxymethyl]-2-fluorophenyl]methanamine (CID 107114159) is [3-[(3,5-dimethylcyclohexyl)oxymethyl]-2-fluorophenyl]methanamine.
What is the SMILES notation for [3-[(3,5-dimethylcyclohexyl)oxymethyl]-2-fluorophenyl]methanamine?
The canonical SMILES for [3-[(3,5-dimethylcyclohexyl)oxymethyl]-2-fluorophenyl]methanamine is CC1CC(C)CC(OCc2cccc(CN)c2F)C1.
What is the InChIKey of [3-[(3,5-dimethylcyclohexyl)oxymethyl]-2-fluorophenyl]methanamine?
The InChIKey is WALIGXGYKFJWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-11-6-12(2)8-15(7-11)19-10-14-5-3-4-13(9-18)16(14)17/h3-5,11-12,15H,6-10,18H2,1-2H3.
What are the key properties of [3-[(3,5-dimethylcyclohexyl)oxymethyl]-2-fluorophenyl]methanamine?
[3-[(3,5-dimethylcyclohexyl)oxymethyl]-2-fluorophenyl]methanamine has a molecular weight of 265.37 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3,5-dimethylcyclohexyl)oxymethyl]-2-fluorophenyl]methanamine is sourced from PubChem (CID 107114159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).