N-[(4-aminophenyl)methyl]-3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine

C14H13ClF3N3 — CID 60875723

IUPACN-[(4-aminophenyl)methyl]-3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine
SMILESCN(Cc1ccc(N)cc1)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H13ClF3N3/c1-21(8-9-2-4-11(19)5-3-9)13-12(15)6-10(7-20-13)14(16,17)18/h2-7H,8,19H2,1H3
InChIKeyLCKYDTIAZQTEQL-UHFFFAOYSA-N
MW315.73 g/mol
LogP3.97
Rot. Bonds3

About N-[(4-aminophenyl)methyl]-3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine

N-[(4-aminophenyl)methyl]-3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 60875723) has the molecular formula C14H13ClF3N3 and a molecular weight of 315.73 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine
PubChem CID60875723
Molecular FormulaC14H13ClF3N3
Molecular Weight315.73 g/mol
Exact Mass315.08
IUPAC NameN-[(4-aminophenyl)methyl]-3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine
SMILESCN(Cc1ccc(N)cc1)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H13ClF3N3/c1-21(8-9-2-4-11(19)5-3-9)13-12(15)6-10(7-20-13)14(16,17)18/h2-7H,8,19H2,1H3
InChIKeyLCKYDTIAZQTEQL-UHFFFAOYSA-N
XLogP3.97
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.73
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(4-aminophenyl)methyl]-3,5-dichloro-N-methylpyridin-2-amine
CID 60875712
2-N-benzyl-3-chloro-2-N-methylpyridine-2,5-diamine
CID 82480063
3-chloro-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine
CID 14933767
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propan-2-ol
CID 55037938
N-[(4-aminophenyl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine
CID 60876439
1-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-N,4-dimethylpentane-1,3-diamine
CID 115318124
3-chloro-N,5-dimethyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 70610903
N-[3-(aminomethyl)phenyl]-3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 62970817
2-N-[(4-chlorophenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine
CID 62475698
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-N-ethylacetamide
CID 47256308
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]ethyl 2-(3,5-dichlorophenyl)acetate
CID 158730387
4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-N-methylcyclohexane-1,4-diamine
CID 79115291

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(4-aminophenyl)methyl]-3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine (CID 60875723) is N-[(4-aminophenyl)methyl]-3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(4-aminophenyl)methyl]-3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine is CN(Cc1ccc(N)cc1)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of N-[(4-aminophenyl)methyl]-3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is LCKYDTIAZQTEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3N3/c1-21(8-9-2-4-11(19)5-3-9)13-12(15)6-10(7-20-13)14(16,17)18/h2-7H,8,19H2,1H3.
What are the key properties of N-[(4-aminophenyl)methyl]-3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine?
N-[(4-aminophenyl)methyl]-3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 315.73 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 60875723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).