1-(3-methylphenyl)-1-phenyl-N-(pyridin-4-ylmethyl)methanamine

C20H20N2 — CID 144917221

IUPAC1-(3-methylphenyl)-1-phenyl-N-(pyridin-4-ylmethyl)methanamine
SMILESCc1cccc(C(NCc2ccncc2)c2ccccc2)c1
InChIInChI=1S/C20H20N2/c1-16-6-5-9-19(14-16)20(18-7-3-2-4-8-18)22-15-17-10-12-21-13-11-17/h2-14,20,22H,15H2,1H3
InChIKeyDNJSWLUGROBJRB-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.27
Rot. Bonds5

About 1-(3-methylphenyl)-1-phenyl-N-(pyridin-4-ylmethyl)methanamine

1-(3-methylphenyl)-1-phenyl-N-(pyridin-4-ylmethyl)methanamine (PubChem CID 144917221) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(3-methylphenyl)-1-phenyl-N-(pyridin-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3-methylphenyl)-1-phenyl-N-(pyridin-4-ylmethyl)methanamine
PubChem CID144917221
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name1-(3-methylphenyl)-1-phenyl-N-(pyridin-4-ylmethyl)methanamine
SMILESCc1cccc(C(NCc2ccncc2)c2ccccc2)c1
InChIInChI=1S/C20H20N2/c1-16-6-5-9-19(14-16)20(18-7-3-2-4-8-18)22-15-17-10-12-21-13-11-17/h2-14,20,22H,15H2,1H3
InChIKeyDNJSWLUGROBJRB-UHFFFAOYSA-N
XLogP4.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(3-methylphenyl)-phenylmethyl]amino]ethanol
CID 144916597
1-phenyl-N-(pyridin-4-ylmethyl)ethanamine;dihydrochloride
CID 45156207
N-methyl-1-(3-methylphenyl)-2-pyridin-4-ylethanamine
CID 62550882
N-[(3-methylphenyl)-phenylmethyl]hydroxylamine
CID 142769620
N-[(5-methylthiophen-2-yl)methyl]-1-phenyl-1-pyridin-4-ylmethanamine
CID 60664173
N-[(4-ethylphenyl)-(3-methylphenyl)methyl]ethanamine
CID 43491470
(1R)-1-(3-methylphenyl)-N-(2-phenylethyl)ethanamine
CID 81364217
N-[[4-(aminomethyl)phenyl]methyl]-1,1-diphenylmethanamine;hydrochloride
CID 22051255
(1S)-N-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methylphenyl)-1-phenylmethanamine
CID 9113084
1-phenyl-N-(pyridin-4-ylmethyl)butan-1-amine;hydrochloride
CID 17155648
1-phenyl-N-[(4-propan-2-ylphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 75493904
(1R)-N-benzyl-1-phenyl-1-pyrimidin-2-ylmethanamine
CID 86338233

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-1-phenyl-N-(pyridin-4-ylmethyl)methanamine?
The IUPAC name of 1-(3-methylphenyl)-1-phenyl-N-(pyridin-4-ylmethyl)methanamine (CID 144917221) is 1-(3-methylphenyl)-1-phenyl-N-(pyridin-4-ylmethyl)methanamine.
What is the SMILES notation for 1-(3-methylphenyl)-1-phenyl-N-(pyridin-4-ylmethyl)methanamine?
The canonical SMILES for 1-(3-methylphenyl)-1-phenyl-N-(pyridin-4-ylmethyl)methanamine is Cc1cccc(C(NCc2ccncc2)c2ccccc2)c1.
What is the InChIKey of 1-(3-methylphenyl)-1-phenyl-N-(pyridin-4-ylmethyl)methanamine?
The InChIKey is DNJSWLUGROBJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2/c1-16-6-5-9-19(14-16)20(18-7-3-2-4-8-18)22-15-17-10-12-21-13-11-17/h2-14,20,22H,15H2,1H3.
What are the key properties of 1-(3-methylphenyl)-1-phenyl-N-(pyridin-4-ylmethyl)methanamine?
1-(3-methylphenyl)-1-phenyl-N-(pyridin-4-ylmethyl)methanamine has a molecular weight of 288.39 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-1-phenyl-N-(pyridin-4-ylmethyl)methanamine is sourced from PubChem (CID 144917221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).