1-[3-(difluoromethyl)phenyl]-N-[(4-methyl-3-pyridinyl)methyl]methanamine

C15H16F2N2 — CID 114954865

IUPAC1-[3-(difluoromethyl)phenyl]-N-[(4-methyl-3-pyridinyl)methyl]methanamine
SMILESCc1ccncc1CNCc1cccc(C(F)F)c1
InChIInChI=1S/C15H16F2N2/c1-11-5-6-18-9-14(11)10-19-8-12-3-2-4-13(7-12)15(16)17/h2-7,9,15,19H,8,10H2,1H3
InChIKeyHEDGMDRCPWQNNI-UHFFFAOYSA-N
MW262.30 g/mol
LogP3.62
Rot. Bonds5

About 1-[3-(difluoromethyl)phenyl]-N-[(4-methyl-3-pyridinyl)methyl]methanamine

1-[3-(difluoromethyl)phenyl]-N-[(4-methyl-3-pyridinyl)methyl]methanamine (PubChem CID 114954865) has the molecular formula C15H16F2N2 and a molecular weight of 262.30 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)phenyl]-N-[(4-methyl-3-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-[3-(difluoromethyl)phenyl]-N-[(4-methyl-3-pyridinyl)methyl]methanamine
PubChem CID114954865
Molecular FormulaC15H16F2N2
Molecular Weight262.30 g/mol
Exact Mass262.13
IUPAC Name1-[3-(difluoromethyl)phenyl]-N-[(4-methyl-3-pyridinyl)methyl]methanamine
SMILESCc1ccncc1CNCc1cccc(C(F)F)c1
InChIInChI=1S/C15H16F2N2/c1-11-5-6-18-9-14(11)10-19-8-12-3-2-4-13(7-12)15(16)17/h2-7,9,15,19H,8,10H2,1H3
InChIKeyHEDGMDRCPWQNNI-UHFFFAOYSA-N
XLogP3.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methyl-3-pyridinyl)methyl]-1-quinolin-6-ylmethanamine
CID 114955119
2-fluoro-4-[[(4-methyl-3-pyridinyl)methylamino]methyl]benzoic acid
CID 106700569
2,6-dibromo-4-[[(4-methyl-3-pyridinyl)methylamino]methyl]phenol
CID 107741125
1-[3-(difluoromethyl)phenyl]-N-[(6-methoxy-3-pyridinyl)methyl]methanamine
CID 115526058
1-[3-(difluoromethyl)phenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 113328749
N-[[3-(difluoromethyl)phenyl]methyl]prop-2-yn-1-amine
CID 115525876
1-(2,4-dimethylphenyl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine
CID 114954748
4-[[[3-(difluoromethyl)phenyl]methylamino]methyl]phenol
CID 114331434
4-[[(4-methyl-3-pyridinyl)methylamino]methyl]benzene-1,3-diol
CID 114954745
1-(3-methoxyphenyl)-2-[(4-methyl-3-pyridinyl)methylamino]ethanol
CID 114955555
N-[[3-(difluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)ethanamine
CID 115526630
N-[[3-(difluoromethyl)phenyl]methyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 115526450

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)phenyl]-N-[(4-methyl-3-pyridinyl)methyl]methanamine?
The IUPAC name of 1-[3-(difluoromethyl)phenyl]-N-[(4-methyl-3-pyridinyl)methyl]methanamine (CID 114954865) is 1-[3-(difluoromethyl)phenyl]-N-[(4-methyl-3-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-[3-(difluoromethyl)phenyl]-N-[(4-methyl-3-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-[3-(difluoromethyl)phenyl]-N-[(4-methyl-3-pyridinyl)methyl]methanamine is Cc1ccncc1CNCc1cccc(C(F)F)c1.
What is the InChIKey of 1-[3-(difluoromethyl)phenyl]-N-[(4-methyl-3-pyridinyl)methyl]methanamine?
The InChIKey is HEDGMDRCPWQNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2/c1-11-5-6-18-9-14(11)10-19-8-12-3-2-4-13(7-12)15(16)17/h2-7,9,15,19H,8,10H2,1H3.
What are the key properties of 1-[3-(difluoromethyl)phenyl]-N-[(4-methyl-3-pyridinyl)methyl]methanamine?
1-[3-(difluoromethyl)phenyl]-N-[(4-methyl-3-pyridinyl)methyl]methanamine has a molecular weight of 262.30 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethyl)phenyl]-N-[(4-methyl-3-pyridinyl)methyl]methanamine is sourced from PubChem (CID 114954865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).