2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)propan-1-ol

C16H24FNO2 — CID 61046929

IUPAC2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(C)(CO)NC2CCCCC2)cc1F
InChIInChI=1S/C16H24FNO2/c1-16(11-19,18-13-6-4-3-5-7-13)12-8-9-15(20-2)14(17)10-12/h8-10,13,18-19H,3-7,11H2,1-2H3
InChIKeyOVWFHYINUMGTQX-UHFFFAOYSA-N
MW281.37 g/mol
LogP2.96
Rot. Bonds5

About 2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)propan-1-ol

2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)propan-1-ol (PubChem CID 61046929) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)propan-1-ol
PubChem CID61046929
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(C)(CO)NC2CCCCC2)cc1F
InChIInChI=1S/C16H24FNO2/c1-16(11-19,18-13-6-4-3-5-7-13)12-8-9-15(20-2)14(17)10-12/h8-10,13,18-19H,3-7,11H2,1-2H3
InChIKeyOVWFHYINUMGTQX-UHFFFAOYSA-N
XLogP2.96
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)propan-1-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-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 60998426
methyl 2-(cyclopentylamino)-2-(3-fluoro-4-methoxyphenyl)propanoate
CID 60998641
2-(cyclohexylamino)-2-(3-fluorophenyl)propan-1-ol
CID 61047305
2-(cyclopropylamino)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 43754500
2-(cyclohexylamino)-2-phenylpropan-1-ol
CID 61045452
2-(cycloheptylamino)-2-(2,4-difluorophenyl)propan-1-ol
CID 61056358
2-(cyclohexylamino)-2-(2,4-difluorophenyl)propan-1-ol
CID 61046551
2-(cyclohexylamino)-2-(3-methylphenyl)propan-1-ol
CID 61310488
2-(cyclopentylamino)-2-phenylpropan-1-ol
CID 61053942
2-(cyclohexylamino)-2-(4-propan-2-ylphenyl)propan-1-ol
CID 61047114
2-(3-chlorophenyl)-2-(cyclopentylamino)propan-1-ol
CID 61053941
2-(cyclopentylamino)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-ol
CID 61055167

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)propan-1-ol?
The IUPAC name of 2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)propan-1-ol (CID 61046929) is 2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)propan-1-ol?
The canonical SMILES for 2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)propan-1-ol is COc1ccc(C(C)(CO)NC2CCCCC2)cc1F.
What is the InChIKey of 2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)propan-1-ol?
The InChIKey is OVWFHYINUMGTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-16(11-19,18-13-6-4-3-5-7-13)12-8-9-15(20-2)14(17)10-12/h8-10,13,18-19H,3-7,11H2,1-2H3.
What are the key properties of 2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)propan-1-ol?
2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)propan-1-ol has a molecular weight of 281.37 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 61046929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).