N-[(4-chlorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine

C14H12ClF3N2O — CID 43677152

IUPACN-[(4-chlorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
SMILESFC(F)(F)COc1ccc(NCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C14H12ClF3N2O/c15-11-3-1-10(2-4-11)7-19-12-5-6-13(20-8-12)21-9-14(16,17)18/h1-6,8,19H,7,9H2
InChIKeyVFHCSBWCMXLNMO-UHFFFAOYSA-N
MW316.71 g/mol
LogP4.29
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine

N-[(4-chlorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine (PubChem CID 43677152) has the molecular formula C14H12ClF3N2O and a molecular weight of 316.71 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
PubChem CID43677152
Molecular FormulaC14H12ClF3N2O
Molecular Weight316.71 g/mol
Exact Mass316.06
IUPAC NameN-[(4-chlorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
SMILESFC(F)(F)COc1ccc(NCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C14H12ClF3N2O/c15-11-3-1-10(2-4-11)7-19-12-5-6-13(20-8-12)21-9-14(16,17)18/h1-6,8,19H,7,9H2
InChIKeyVFHCSBWCMXLNMO-UHFFFAOYSA-N
XLogP4.29
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.71
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-chlorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-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

N-[(4-methylsulfinylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 75386395
N-[(3-bromophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 43677154
2-methoxy-5-[[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]methyl]phenol
CID 78885021
1-[(4-chlorophenyl)methyl]-2-methyl-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111132374
N-ethyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride
CID 174836554
N-(cyclopentylmethyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 55030411
tert-butyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 65142733
5-(iodomethyl)-2-(2,2,2-trifluoroethoxy)pyridine
CID 162562842
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 102831930
N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanesulfonamide
CID 61063335
N-cyclohexyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 43677195
N-[1-(5-chlorothiophen-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 43677189

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine (CID 43677152) is N-[(4-chlorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine is FC(F)(F)COc1ccc(NCc2ccc(Cl)cc2)cn1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The InChIKey is VFHCSBWCMXLNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2O/c15-11-3-1-10(2-4-11)7-19-12-5-6-13(20-8-12)21-9-14(16,17)18/h1-6,8,19H,7,9H2.
What are the key properties of N-[(4-chlorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
N-[(4-chlorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine has a molecular weight of 316.71 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine is sourced from PubChem (CID 43677152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).