2-(3-chlorophenyl)-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol

C15H14ClF3N2O — CID 133473010

IUPAC2-(3-chlorophenyl)-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
SMILESCC(O)(CNc1cc(C(F)(F)F)ccn1)c1cccc(Cl)c1
InChIInChI=1S/C15H14ClF3N2O/c1-14(22,10-3-2-4-12(16)7-10)9-21-13-8-11(5-6-20-13)15(17,18)19/h2-8,22H,9H2,1H3,(H,20,21)
InChIKeyNXRSXVYZHVNHSV-UHFFFAOYSA-N
MW330.74 g/mol
LogP4.07
Rot. Bonds4

About 2-(3-chlorophenyl)-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol

2-(3-chlorophenyl)-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol (PubChem CID 133473010) has the molecular formula C15H14ClF3N2O and a molecular weight of 330.74 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
PubChem CID133473010
Molecular FormulaC15H14ClF3N2O
Molecular Weight330.74 g/mol
Exact Mass330.07
IUPAC Name2-(3-chlorophenyl)-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
SMILESCC(O)(CNc1cc(C(F)(F)F)ccn1)c1cccc(Cl)c1
InChIInChI=1S/C15H14ClF3N2O/c1-14(22,10-3-2-4-12(16)7-10)9-21-13-8-11(5-6-20-13)15(17,18)19/h2-8,22H,9H2,1H3,(H,20,21)
InChIKeyNXRSXVYZHVNHSV-UHFFFAOYSA-N
XLogP4.07
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.74
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-1-[[4-(dimethylamino)pyrimidin-2-yl]amino]propan-2-ol
CID 133473147
N-(3-chloro-2,2-dimethylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 115363721
N-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 115681101
2-(3-chlorophenyl)-1-[(4-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol
CID 133473068
1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(3-chlorophenyl)propan-2-ol
CID 133473167
N-(2-ethoxy-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 114943044
2-(3-chlorophenyl)-1-[(4-methyl-3-nitro-2-pyridinyl)amino]propan-2-ol
CID 133472993
N-(5-chloropentyl)-4-(trifluoromethyl)pyridin-2-amine
CID 107320732
2-(3-chlorophenyl)-1-(2-methoxyethylamino)propan-2-ol
CID 62772834
2-(3-chlorophenyl)-1-(cyclopentylamino)propan-2-ol
CID 119107466
1-(pyridin-2-ylmethylamino)-2-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 111121601
N-(2-methyl-2-thiophen-2-ylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 80528200

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol?
The IUPAC name of 2-(3-chlorophenyl)-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol (CID 133473010) is 2-(3-chlorophenyl)-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol.
What is the SMILES notation for 2-(3-chlorophenyl)-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol?
The canonical SMILES for 2-(3-chlorophenyl)-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol is CC(O)(CNc1cc(C(F)(F)F)ccn1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol?
The InChIKey is NXRSXVYZHVNHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N2O/c1-14(22,10-3-2-4-12(16)7-10)9-21-13-8-11(5-6-20-13)15(17,18)19/h2-8,22H,9H2,1H3,(H,20,21).
What are the key properties of 2-(3-chlorophenyl)-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol?
2-(3-chlorophenyl)-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol has a molecular weight of 330.74 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol is sourced from PubChem (CID 133473010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).