2-(3-chloro-4-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]ethanamine

C15H20ClF3N2 — CID 115984863

IUPAC2-(3-chloro-4-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
SMILESCNC(Cc1ccncc1Cl)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H20ClF3N2/c1-20-14(8-11-6-7-21-9-13(11)16)10-2-4-12(5-3-10)15(17,18)19/h6-7,9-10,12,14,20H,2-5,8H2,1H3
InChIKeyVYASCOFSTGRDAN-UHFFFAOYSA-N
MW320.79 g/mol
LogP4.23
Rot. Bonds4

About 2-(3-chloro-4-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]ethanamine

2-(3-chloro-4-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]ethanamine (PubChem CID 115984863) has the molecular formula C15H20ClF3N2 and a molecular weight of 320.79 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
PubChem CID115984863
Molecular FormulaC15H20ClF3N2
Molecular Weight320.79 g/mol
Exact Mass320.13
IUPAC Name2-(3-chloro-4-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
SMILESCNC(Cc1ccncc1Cl)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H20ClF3N2/c1-20-14(8-11-6-7-21-9-13(11)16)10-2-4-12(5-3-10)15(17,18)19/h6-7,9-10,12,14,20H,2-5,8H2,1H3
InChIKeyVYASCOFSTGRDAN-UHFFFAOYSA-N
XLogP4.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.79
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-pyridinyl)-3-cyclopentyl-N-methylpropan-2-amine
CID 112655636
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 112655545
3-chloro-4-[2-chloro-2-[3-(trifluoromethyl)cyclohexyl]ethyl]pyridine
CID 115985083
[2-(3-chloro-4-pyridinyl)-1-(4,4-dimethylcyclohexyl)ethyl]hydrazine
CID 105231726
3-(3-chloro-4-pyridinyl)-2-cyclopentyl-N-methylpropan-1-amine
CID 112569757
3-(3-chloro-4-pyridinyl)-1,1-difluoro-N-methylpropan-2-amine
CID 103516735
3-[2-(methylamino)-2-(4-propan-2-ylcyclohexyl)ethyl]pyridin-4-amine
CID 65425351
4-[2-(4-butylcyclohexyl)-2-chloroethyl]-3-chloropyridine
CID 115985104
N-methyl-2-pyridin-3-yl-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
CID 105180006
2-(3-chloro-4-pyridinyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79658432
3-chloro-4-(2-chloro-3,3,3-trifluoropropyl)pyridine
CID 112655896
(1R)-N-[(3-chloro-4-pyridinyl)methyl]-1-cyclopentylethanamine
CID 81394526

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]ethanamine?
The IUPAC name of 2-(3-chloro-4-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]ethanamine (CID 115984863) is 2-(3-chloro-4-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]ethanamine.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]ethanamine?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]ethanamine is CNC(Cc1ccncc1Cl)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]ethanamine?
The InChIKey is VYASCOFSTGRDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClF3N2/c1-20-14(8-11-6-7-21-9-13(11)16)10-2-4-12(5-3-10)15(17,18)19/h6-7,9-10,12,14,20H,2-5,8H2,1H3.
What are the key properties of 2-(3-chloro-4-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]ethanamine?
2-(3-chloro-4-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]ethanamine has a molecular weight of 320.79 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]ethanamine is sourced from PubChem (CID 115984863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).