[3-methyl-4-(3-phenylphenyl)-2-pyridinyl]methanamine

C19H18N2 — CID 177019341

IUPAC[3-methyl-4-(3-phenylphenyl)-2-pyridinyl]methanamine
SMILESCc1c(-c2cccc(-c3ccccc3)c2)ccnc1CN
InChIInChI=1S/C19H18N2/c1-14-18(10-11-21-19(14)13-20)17-9-5-8-16(12-17)15-6-3-2-4-7-15/h2-12H,13,20H2,1H3
InChIKeyAUFSKTKVFCXRDX-UHFFFAOYSA-N
MW274.37 g/mol
LogP4.18
Rot. Bonds3

About [3-methyl-4-(3-phenylphenyl)-2-pyridinyl]methanamine

[3-methyl-4-(3-phenylphenyl)-2-pyridinyl]methanamine (PubChem CID 177019341) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is [3-methyl-4-(3-phenylphenyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-methyl-4-(3-phenylphenyl)-2-pyridinyl]methanamine
PubChem CID177019341
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC Name[3-methyl-4-(3-phenylphenyl)-2-pyridinyl]methanamine
SMILESCc1c(-c2cccc(-c3ccccc3)c2)ccnc1CN
InChIInChI=1S/C19H18N2/c1-14-18(10-11-21-19(14)13-20)17-9-5-8-16(12-17)15-6-3-2-4-7-15/h2-12H,13,20H2,1H3
InChIKeyAUFSKTKVFCXRDX-UHFFFAOYSA-N
XLogP4.18
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-(3-phenylphenyl)-2-pyridinyl]methanamine?
The IUPAC name of [3-methyl-4-(3-phenylphenyl)-2-pyridinyl]methanamine (CID 177019341) is [3-methyl-4-(3-phenylphenyl)-2-pyridinyl]methanamine.
What is the SMILES notation for [3-methyl-4-(3-phenylphenyl)-2-pyridinyl]methanamine?
The canonical SMILES for [3-methyl-4-(3-phenylphenyl)-2-pyridinyl]methanamine is Cc1c(-c2cccc(-c3ccccc3)c2)ccnc1CN.
What is the InChIKey of [3-methyl-4-(3-phenylphenyl)-2-pyridinyl]methanamine?
The InChIKey is AUFSKTKVFCXRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2/c1-14-18(10-11-21-19(14)13-20)17-9-5-8-16(12-17)15-6-3-2-4-7-15/h2-12H,13,20H2,1H3.
What are the key properties of [3-methyl-4-(3-phenylphenyl)-2-pyridinyl]methanamine?
[3-methyl-4-(3-phenylphenyl)-2-pyridinyl]methanamine has a molecular weight of 274.37 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-(3-phenylphenyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 177019341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).