N-[(3,5-difluorophenyl)methyl]-2-propan-2-ylcyclohexan-1-amine

C16H23F2N — CID 105403288

IUPACN-[(3,5-difluorophenyl)methyl]-2-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCCCC1NCc1cc(F)cc(F)c1
InChIInChI=1S/C16H23F2N/c1-11(2)15-5-3-4-6-16(15)19-10-12-7-13(17)9-14(18)8-12/h7-9,11,15-16,19H,3-6,10H2,1-2H3
InChIKeyOWXMEIRIQVCFMP-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.27
Rot. Bonds4

About N-[(3,5-difluorophenyl)methyl]-2-propan-2-ylcyclohexan-1-amine

N-[(3,5-difluorophenyl)methyl]-2-propan-2-ylcyclohexan-1-amine (PubChem CID 105403288) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-2-propan-2-ylcyclohexan-1-amine
PubChem CID105403288
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC NameN-[(3,5-difluorophenyl)methyl]-2-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCCCC1NCc1cc(F)cc(F)c1
InChIInChI=1S/C16H23F2N/c1-11(2)15-5-3-4-6-16(15)19-10-12-7-13(17)9-14(18)8-12/h7-9,11,15-16,19H,3-6,10H2,1-2H3
InChIKeyOWXMEIRIQVCFMP-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(3,5-difluorophenyl)methyl]-2-propan-2-ylcyclohexan-1-amine 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

4-fluoro-2-[[(2-propan-2-ylcyclohexyl)amino]methyl]phenol
CID 107694535
(1S)-1-cyclohexyl-N-[(3,5-difluorophenyl)methyl]ethanamine
CID 105403256
2,6-dichloro-4-fluoro-N-(2-propan-2-ylcyclohexyl)aniline
CID 83078747
[2-[(3,5-difluorophenyl)methylamino]cyclopentyl]methanol
CID 113338463
N-(2-methylpropyl)-2-propan-2-ylcyclohexan-1-amine
CID 81301790
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methylcycloheptan-1-amine
CID 115350673
2-fluoro-6-[[(2-propan-2-ylcyclohexyl)amino]methyl]phenol
CID 112607156
2-chloro-4,6-difluoro-N-(2-propan-2-ylcyclohexyl)aniline
CID 83081176
N-fluoro-2-propan-2-ylcyclohexan-1-amine
CID 142212218
2-propan-2-yl-N-propylcyclohexan-1-amine
CID 62603110
N-(cyclopropylmethyl)-2-propan-2-ylcyclohexan-1-amine
CID 78927307
trans-(1R,2R)-1-N,2-N-bis[(4-fluorophenyl)methyl]cyclohexane-1,2-diamine
CID 18660068

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-propan-2-ylcyclohexan-1-amine (CID 105403288) is N-[(3,5-difluorophenyl)methyl]-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-2-propan-2-ylcyclohexan-1-amine is CC(C)C1CCCCC1NCc1cc(F)cc(F)c1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is OWXMEIRIQVCFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-11(2)15-5-3-4-6-16(15)19-10-12-7-13(17)9-14(18)8-12/h7-9,11,15-16,19H,3-6,10H2,1-2H3.
What are the key properties of N-[(3,5-difluorophenyl)methyl]-2-propan-2-ylcyclohexan-1-amine?
N-[(3,5-difluorophenyl)methyl]-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 267.36 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 105403288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).