2-(2,3-difluorophenyl)-1-(2,2-dimethylcyclohexyl)ethanamine

C16H23F2N — CID 107179648

IUPAC2-(2,3-difluorophenyl)-1-(2,2-dimethylcyclohexyl)ethanamine
SMILESCC1(C)CCCCC1C(N)Cc1cccc(F)c1F
InChIInChI=1S/C16H23F2N/c1-16(2)9-4-3-7-12(16)14(19)10-11-6-5-8-13(17)15(11)18/h5-6,8,12,14H,3-4,7,9-10,19H2,1-2H3
InChIKeyBWYDCNXDNKSIQB-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.05
Rot. Bonds3

About 2-(2,3-difluorophenyl)-1-(2,2-dimethylcyclohexyl)ethanamine

2-(2,3-difluorophenyl)-1-(2,2-dimethylcyclohexyl)ethanamine (PubChem CID 107179648) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-1-(2,2-dimethylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-1-(2,2-dimethylcyclohexyl)ethanamine
PubChem CID107179648
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC Name2-(2,3-difluorophenyl)-1-(2,2-dimethylcyclohexyl)ethanamine
SMILESCC1(C)CCCCC1C(N)Cc1cccc(F)c1F
InChIInChI=1S/C16H23F2N/c1-16(2)9-4-3-7-12(16)14(19)10-11-6-5-8-13(17)15(11)18/h5-6,8,12,14H,3-4,7,9-10,19H2,1-2H3
InChIKeyBWYDCNXDNKSIQB-UHFFFAOYSA-N
XLogP4.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2,3-difluorophenyl)-1-(2,2-dimethylcyclohexyl)ethanamine 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-(3-chloro-2-fluorophenyl)-1-(2,2-dimethylcyclopentyl)ethanamine
CID 107191661
[2-(2,3-difluorophenyl)-1-(2,2-dimethylcyclohexyl)ethyl]hydrazine
CID 107193665
2-(2-bromo-4-fluorophenyl)-1-(2,2-dimethylcyclohexyl)ethanamine
CID 107188309
2-(2,3-difluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
CID 104622298
1-(2,2-dimethylcyclohexyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 107188138
2-(2,5-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)ethanamine
CID 107189012
2-(3-chloro-2-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine
CID 107191654
2-(2,3-difluorophenyl)-1-(1-methylcyclohexyl)ethanol
CID 106828875
1-(2,2-dimethylcyclopentyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 107190809
1-(2,2-dimethylcyclopentyl)-2-thiophen-2-ylethanamine
CID 107179421
2-(5-bromo-2-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)ethanamine
CID 107188007
1-(2,2-dimethylcyclohexyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 107190490

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-1-(2,2-dimethylcyclohexyl)ethanamine?
The IUPAC name of 2-(2,3-difluorophenyl)-1-(2,2-dimethylcyclohexyl)ethanamine (CID 107179648) is 2-(2,3-difluorophenyl)-1-(2,2-dimethylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(2,3-difluorophenyl)-1-(2,2-dimethylcyclohexyl)ethanamine?
The canonical SMILES for 2-(2,3-difluorophenyl)-1-(2,2-dimethylcyclohexyl)ethanamine is CC1(C)CCCCC1C(N)Cc1cccc(F)c1F.
What is the InChIKey of 2-(2,3-difluorophenyl)-1-(2,2-dimethylcyclohexyl)ethanamine?
The InChIKey is BWYDCNXDNKSIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-16(2)9-4-3-7-12(16)14(19)10-11-6-5-8-13(17)15(11)18/h5-6,8,12,14H,3-4,7,9-10,19H2,1-2H3.
What are the key properties of 2-(2,3-difluorophenyl)-1-(2,2-dimethylcyclohexyl)ethanamine?
2-(2,3-difluorophenyl)-1-(2,2-dimethylcyclohexyl)ethanamine has a molecular weight of 267.36 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-1-(2,2-dimethylcyclohexyl)ethanamine is sourced from PubChem (CID 107179648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).