(2,3-dichlorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine

C14H16Cl2F3N — CID 105141855

IUPAC(2,3-dichlorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine
SMILESNC(c1cccc(Cl)c1Cl)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H16Cl2F3N/c15-11-7-3-5-9(12(11)16)13(20)8-4-1-2-6-10(8)14(17,18)19/h3,5,7-8,10,13H,1-2,4,6,20H2
InChIKeyYIGLJWQEKCQDOB-UHFFFAOYSA-N
MW326.19 g/mol
LogP5.36
Rot. Bonds2

About (2,3-dichlorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine

(2,3-dichlorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 105141855) has the molecular formula C14H16Cl2F3N and a molecular weight of 326.19 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID105141855
Molecular FormulaC14H16Cl2F3N
Molecular Weight326.19 g/mol
Exact Mass325.06
IUPAC Name(2,3-dichlorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine
SMILESNC(c1cccc(Cl)c1Cl)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H16Cl2F3N/c15-11-7-3-5-9(12(11)16)13(20)8-4-1-2-6-10(8)14(17,18)19/h3,5,7-8,10,13H,1-2,4,6,20H2
InChIKeyYIGLJWQEKCQDOB-UHFFFAOYSA-N
XLogP5.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.19
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2,3-dichlorophenyl)-[2-(trifluoromethyl)cyclohexyl]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

cyclopropyl-(2,3-dichlorophenyl)methanamine
CID 62789310
(5-chloro-2-methoxyphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105140994
(2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methanamine
CID 115851414
(1S)-1-(2,3-dichlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 171311628
(2,3-dichlorophenyl)-(thiolan-2-yl)methanamine
CID 80623174
(2,5-dimethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105120416
(2,3-dichlorophenyl)methanediamine
CID 139660481
2-(3-chloro-2-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol
CID 102867474
(1S)-1-(2,3-dichlorophenyl)-3,3,3-trifluoropropan-1-amine
CID 103693902
(2,3-dichlorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 105093185
(2,3-dichlorophenyl)-(4-ethylcyclohexyl)methanamine
CID 65393105
(R)-(3-chloro-2-fluorophenyl)-cyclopentylmethanamine;hydrochloride
CID 171209319

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of (2,3-dichlorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine (CID 105141855) is (2,3-dichlorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for (2,3-dichlorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for (2,3-dichlorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine is NC(c1cccc(Cl)c1Cl)C1CCCCC1C(F)(F)F.
What is the InChIKey of (2,3-dichlorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is YIGLJWQEKCQDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2F3N/c15-11-7-3-5-9(12(11)16)13(20)8-4-1-2-6-10(8)14(17,18)19/h3,5,7-8,10,13H,1-2,4,6,20H2.
What are the key properties of (2,3-dichlorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine?
(2,3-dichlorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 326.19 g/mol, XLogP of 5.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 105141855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).