N-[[4-(chloromethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine

C14H12ClF3N2 — CID 107233201

IUPACN-[[4-(chloromethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccnc(NCc2ccc(CCl)cc2)c1
InChIInChI=1S/C14H12ClF3N2/c15-8-10-1-3-11(4-2-10)9-20-13-7-12(5-6-19-13)14(16,17)18/h1-7H,8-9H2,(H,19,20)
InChIKeyCXSGXPVAIOOATG-UHFFFAOYSA-N
MW300.71 g/mol
LogP4.45
Rot. Bonds4

About N-[[4-(chloromethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine

N-[[4-(chloromethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 107233201) has the molecular formula C14H12ClF3N2 and a molecular weight of 300.71 g/mol. Its IUPAC name is N-[[4-(chloromethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[[4-(chloromethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID107233201
Molecular FormulaC14H12ClF3N2
Molecular Weight300.71 g/mol
Exact Mass300.06
IUPAC NameN-[[4-(chloromethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccnc(NCc2ccc(CCl)cc2)c1
InChIInChI=1S/C14H12ClF3N2/c15-8-10-1-3-11(4-2-10)9-20-13-7-12(5-6-19-13)14(16,17)18/h1-7H,8-9H2,(H,19,20)
InChIKeyCXSGXPVAIOOATG-UHFFFAOYSA-N
XLogP4.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.71
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(4-bromophenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66329838
N-[[4-(2-aminoethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66330659
4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzoic acid
CID 66328048
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 133359241
N-[[4-(chloromethyl)phenyl]methyl]-4-methylpyridin-2-amine
CID 107233111
2-[4-(chloromethyl)phenyl]-4-(trifluoromethyl)pyridine;hydrochloride
CID 176896090
N-(5-chloropentyl)-4-(trifluoromethyl)pyridin-2-amine
CID 107320732
N-(3-chloro-2,2-dimethylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 115363721
2-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile
CID 62880130
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 133358464
N-(3-chloro-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66328524
4-(chloromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 65025403

Frequently Asked Questions

What is the IUPAC name of N-[[4-(chloromethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[[4-(chloromethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine (CID 107233201) is N-[[4-(chloromethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[[4-(chloromethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[[4-(chloromethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1ccnc(NCc2ccc(CCl)cc2)c1.
What is the InChIKey of N-[[4-(chloromethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is CXSGXPVAIOOATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2/c15-8-10-1-3-11(4-2-10)9-20-13-7-12(5-6-19-13)14(16,17)18/h1-7H,8-9H2,(H,19,20).
What are the key properties of N-[[4-(chloromethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine?
N-[[4-(chloromethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 300.71 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(chloromethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 107233201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).