1-phenyl-N-[(4-propan-2-ylphenyl)methyl]-1-pyridin-3-ylmethanamine

C22H24N2 — CID 75493904

IUPAC1-phenyl-N-[(4-propan-2-ylphenyl)methyl]-1-pyridin-3-ylmethanamine
SMILESCC(C)c1ccc(CNC(c2ccccc2)c2cccnc2)cc1
InChIInChI=1S/C22H24N2/c1-17(2)19-12-10-18(11-13-19)15-24-22(20-7-4-3-5-8-20)21-9-6-14-23-16-21/h3-14,16-17,22,24H,15H2,1-2H3
InChIKeyUENOXPXWMFVIDT-UHFFFAOYSA-N
MW316.45 g/mol
LogP5.08
Rot. Bonds6

About 1-phenyl-N-[(4-propan-2-ylphenyl)methyl]-1-pyridin-3-ylmethanamine

1-phenyl-N-[(4-propan-2-ylphenyl)methyl]-1-pyridin-3-ylmethanamine (PubChem CID 75493904) has the molecular formula C22H24N2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 1-phenyl-N-[(4-propan-2-ylphenyl)methyl]-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound Name1-phenyl-N-[(4-propan-2-ylphenyl)methyl]-1-pyridin-3-ylmethanamine
PubChem CID75493904
Molecular FormulaC22H24N2
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC Name1-phenyl-N-[(4-propan-2-ylphenyl)methyl]-1-pyridin-3-ylmethanamine
SMILESCC(C)c1ccc(CNC(c2ccccc2)c2cccnc2)cc1
InChIInChI=1S/C22H24N2/c1-17(2)19-12-10-18(11-13-19)15-24-22(20-7-4-3-5-8-20)21-9-6-14-23-16-21/h3-14,16-17,22,24H,15H2,1-2H3
InChIKeyUENOXPXWMFVIDT-UHFFFAOYSA-N
XLogP5.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.45
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzylpropan-2-amine;cumene;methane;yttrium
CID 159029176
(1R)-N-[[4-(difluoromethyl)phenyl]methyl]-1-pyridin-3-ylethanamine
CID 115524164
N-[(4-chlorophenyl)-pyridin-3-ylmethyl]ethanamine
CID 43488958
(1S)-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethanamine
CID 28669732
N-[(4-butan-2-ylphenyl)-pyridin-3-ylmethyl]ethanamine
CID 43490300
N-methyl-2-(4-propan-2-ylphenyl)-2-pyridin-3-ylethanamine
CID 116824741
4-[(1-pyridin-3-ylethylamino)methyl]benzoic acid
CID 62216414
2-methyl-1-phenyl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 43225601
N-[(4-cyclopropylphenyl)methyl]-1-pyridin-3-ylethanamine
CID 79979049
(1S)-N-[[4-(methoxymethyl)phenyl]methyl]-1-pyridin-3-ylethanamine
CID 79032772
N-benzyl-1-(4-propan-2-ylphenyl)ethanamine
CID 43177533
(1S)-N-[(4-bromo-3-chlorophenyl)methyl]-1-pyridin-3-ylethanamine
CID 102978047

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(4-propan-2-ylphenyl)methyl]-1-pyridin-3-ylmethanamine?
The IUPAC name of 1-phenyl-N-[(4-propan-2-ylphenyl)methyl]-1-pyridin-3-ylmethanamine (CID 75493904) is 1-phenyl-N-[(4-propan-2-ylphenyl)methyl]-1-pyridin-3-ylmethanamine.
What is the SMILES notation for 1-phenyl-N-[(4-propan-2-ylphenyl)methyl]-1-pyridin-3-ylmethanamine?
The canonical SMILES for 1-phenyl-N-[(4-propan-2-ylphenyl)methyl]-1-pyridin-3-ylmethanamine is CC(C)c1ccc(CNC(c2ccccc2)c2cccnc2)cc1.
What is the InChIKey of 1-phenyl-N-[(4-propan-2-ylphenyl)methyl]-1-pyridin-3-ylmethanamine?
The InChIKey is UENOXPXWMFVIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2/c1-17(2)19-12-10-18(11-13-19)15-24-22(20-7-4-3-5-8-20)21-9-6-14-23-16-21/h3-14,16-17,22,24H,15H2,1-2H3.
What are the key properties of 1-phenyl-N-[(4-propan-2-ylphenyl)methyl]-1-pyridin-3-ylmethanamine?
1-phenyl-N-[(4-propan-2-ylphenyl)methyl]-1-pyridin-3-ylmethanamine has a molecular weight of 316.45 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(4-propan-2-ylphenyl)methyl]-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 75493904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).