3-fluoro-4-[1-[methyl-[4-(methylamino)cyclohexyl]amino]ethyl]phenol

C16H25FN2O — CID 107720804

IUPAC3-fluoro-4-[1-[methyl-[4-(methylamino)cyclohexyl]amino]ethyl]phenol
SMILESCNC1CCC(N(C)C(C)c2ccc(O)cc2F)CC1
InChIInChI=1S/C16H25FN2O/c1-11(15-9-8-14(20)10-16(15)17)19(3)13-6-4-12(18-2)5-7-13/h8-13,18,20H,4-7H2,1-3H3
InChIKeyNZGIABZHEJQYMP-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.05
Rot. Bonds4

About 3-fluoro-4-[1-[methyl-[4-(methylamino)cyclohexyl]amino]ethyl]phenol

3-fluoro-4-[1-[methyl-[4-(methylamino)cyclohexyl]amino]ethyl]phenol (PubChem CID 107720804) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 3-fluoro-4-[1-[methyl-[4-(methylamino)cyclohexyl]amino]ethyl]phenol.

Molecular Properties

Compound Name3-fluoro-4-[1-[methyl-[4-(methylamino)cyclohexyl]amino]ethyl]phenol
PubChem CID107720804
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name3-fluoro-4-[1-[methyl-[4-(methylamino)cyclohexyl]amino]ethyl]phenol
SMILESCNC1CCC(N(C)C(C)c2ccc(O)cc2F)CC1
InChIInChI=1S/C16H25FN2O/c1-11(15-9-8-14(20)10-16(15)17)19(3)13-6-4-12(18-2)5-7-13/h8-13,18,20H,4-7H2,1-3H3
InChIKeyNZGIABZHEJQYMP-UHFFFAOYSA-N
XLogP3.05
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-4-[1-[methyl-[4-(methylamino)cyclohexyl]amino]ethyl]phenol 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-fluoro-4-[1-[methyl(oxolan-3-yl)amino]ethyl]phenol
CID 107721166
3-fluoro-4-[1-[methyl-(2-methylcyclohexyl)amino]ethyl]phenol
CID 107721055
3-fluoro-4-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]phenol
CID 107721085
5-[1-[methyl-[4-(methylamino)cyclohexyl]amino]ethyl]benzene-1,3-diol
CID 107707663
4-N-[1-(2,5-dichlorophenyl)ethyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79122467
4-[1-[ethyl(pyrrolidin-3-yl)amino]ethyl]-3-fluorophenol
CID 107720760
3-fluoro-4-[1-[methyl(propyl)amino]ethyl]phenol
CID 107720983
4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79122154
3-[1-(2-fluoro-4-hydroxyphenyl)ethyl-methylamino]-N-methylpropanamide
CID 107721203
4-[1-[[(1R)-1-cyclopentylethyl]amino]ethyl]-3-fluorophenol
CID 107715312
N-[1-(2,4-difluorophenyl)ethyl]-N-methylazepan-4-amine
CID 107172162
1-(dimethylamino)-1-(2-fluoro-4-hydroxyphenyl)propan-2-one
CID 68648695

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[1-[methyl-[4-(methylamino)cyclohexyl]amino]ethyl]phenol?
The IUPAC name of 3-fluoro-4-[1-[methyl-[4-(methylamino)cyclohexyl]amino]ethyl]phenol (CID 107720804) is 3-fluoro-4-[1-[methyl-[4-(methylamino)cyclohexyl]amino]ethyl]phenol.
What is the SMILES notation for 3-fluoro-4-[1-[methyl-[4-(methylamino)cyclohexyl]amino]ethyl]phenol?
The canonical SMILES for 3-fluoro-4-[1-[methyl-[4-(methylamino)cyclohexyl]amino]ethyl]phenol is CNC1CCC(N(C)C(C)c2ccc(O)cc2F)CC1.
What is the InChIKey of 3-fluoro-4-[1-[methyl-[4-(methylamino)cyclohexyl]amino]ethyl]phenol?
The InChIKey is NZGIABZHEJQYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-11(15-9-8-14(20)10-16(15)17)19(3)13-6-4-12(18-2)5-7-13/h8-13,18,20H,4-7H2,1-3H3.
What are the key properties of 3-fluoro-4-[1-[methyl-[4-(methylamino)cyclohexyl]amino]ethyl]phenol?
3-fluoro-4-[1-[methyl-[4-(methylamino)cyclohexyl]amino]ethyl]phenol has a molecular weight of 280.39 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[1-[methyl-[4-(methylamino)cyclohexyl]amino]ethyl]phenol is sourced from PubChem (CID 107720804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).