N-(1-chloro-3-phenylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-amine

C15H14ClF3N2 — CID 66330687

IUPACN-(1-chloro-3-phenylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccnc(NC(CCl)Cc2ccccc2)c1
InChIInChI=1S/C15H14ClF3N2/c16-10-13(8-11-4-2-1-3-5-11)21-14-9-12(6-7-20-14)15(17,18)19/h1-7,9,13H,8,10H2,(H,20,21)
InChIKeyVQFRIQVVIJEBTM-UHFFFAOYSA-N
MW314.74 g/mol
LogP4.36
Rot. Bonds5

About N-(1-chloro-3-phenylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-amine

N-(1-chloro-3-phenylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 66330687) has the molecular formula C15H14ClF3N2 and a molecular weight of 314.74 g/mol. Its IUPAC name is N-(1-chloro-3-phenylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(1-chloro-3-phenylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID66330687
Molecular FormulaC15H14ClF3N2
Molecular Weight314.74 g/mol
Exact Mass314.08
IUPAC NameN-(1-chloro-3-phenylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccnc(NC(CCl)Cc2ccccc2)c1
InChIInChI=1S/C15H14ClF3N2/c16-10-13(8-11-4-2-1-3-5-11)21-14-9-12(6-7-20-14)15(17,18)19/h1-7,9,13H,8,10H2,(H,20,21)
InChIKeyVQFRIQVVIJEBTM-UHFFFAOYSA-N
XLogP4.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.74
LogP ≤ 54.36
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

1-(2-benzyl-3-chloropropyl)-3-(trifluoromethyl)benzene
CID 66033607
N-(3-chloro-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66328524
N-(1-chloro-3-phenylpropan-2-yl)-3-fluoropyridin-2-amine
CID 65028967
1-N,1-N,4-trimethyl-2-N-[4-(trifluoromethyl)-2-pyridinyl]pentane-1,2-diamine
CID 66328480
N-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 66330241
N-[[4-(chloromethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 107233201
N-(3-chloro-2,2-dimethylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 115363721
N-(5-chloropentyl)-4-(trifluoromethyl)pyridin-2-amine
CID 107320732
N-[1-[4-(aminomethyl)phenyl]ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66331013
4-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentanoic acid
CID 66328053
1-phenyl-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 63412549
N-[(3-methylphenyl)-pyridin-2-ylmethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 133414669

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-phenylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(1-chloro-3-phenylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-amine (CID 66330687) is N-(1-chloro-3-phenylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(1-chloro-3-phenylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(1-chloro-3-phenylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1ccnc(NC(CCl)Cc2ccccc2)c1.
What is the InChIKey of N-(1-chloro-3-phenylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is VQFRIQVVIJEBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N2/c16-10-13(8-11-4-2-1-3-5-11)21-14-9-12(6-7-20-14)15(17,18)19/h1-7,9,13H,8,10H2,(H,20,21).
What are the key properties of N-(1-chloro-3-phenylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-amine?
N-(1-chloro-3-phenylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 314.74 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-phenylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 66330687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).