N-[(3-methylphenyl)methyl]-1-(5-methyl-2-pyridinyl)methanamine

C15H18N2 — CID 80708063

IUPACN-[(3-methylphenyl)methyl]-1-(5-methyl-2-pyridinyl)methanamine
SMILESCc1ccc(CNCc2cccc(C)c2)nc1
InChIInChI=1S/C15H18N2/c1-12-4-3-5-14(8-12)10-16-11-15-7-6-13(2)9-17-15/h3-9,16H,10-11H2,1-2H3
InChIKeyKDVIWAOPFYPECW-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.99
Rot. Bonds4

About N-[(3-methylphenyl)methyl]-1-(5-methyl-2-pyridinyl)methanamine

N-[(3-methylphenyl)methyl]-1-(5-methyl-2-pyridinyl)methanamine (PubChem CID 80708063) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-1-(5-methyl-2-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-1-(5-methyl-2-pyridinyl)methanamine
PubChem CID80708063
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC NameN-[(3-methylphenyl)methyl]-1-(5-methyl-2-pyridinyl)methanamine
SMILESCc1ccc(CNCc2cccc(C)c2)nc1
InChIInChI=1S/C15H18N2/c1-12-4-3-5-14(8-12)10-16-11-15-7-6-13(2)9-17-15/h3-9,16H,10-11H2,1-2H3
InChIKeyKDVIWAOPFYPECW-UHFFFAOYSA-N
XLogP2.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylphenyl)-N-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]methanamine
CID 130373377
N-[(1-methylpyrazol-4-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine
CID 80709626
N-[(3-methylphenyl)methyl]-1-quinoxalin-6-ylmethanamine
CID 46344501
1-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 28664098
N-[(3-methylphenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 29282807
N-[(5-bromo-3-pyridinyl)methyl]-1-(3-methylphenyl)methanamine
CID 104796752
N-[(2-fluorophenyl)methyl]-1-(5-methyl-2-pyridinyl)methanamine
CID 80707816
1-[4-(chloromethyl)phenyl]-N-[(3-methylphenyl)methyl]methanamine
CID 107233003
1-(2-chloro-4-methylphenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 106862383
1-(3-methylphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine
CID 87038246
N-(1H-imidazol-5-ylmethyl)-1-(3-methylphenyl)methanamine
CID 62762804
2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 55062468

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-1-(5-methyl-2-pyridinyl)methanamine?
The IUPAC name of N-[(3-methylphenyl)methyl]-1-(5-methyl-2-pyridinyl)methanamine (CID 80708063) is N-[(3-methylphenyl)methyl]-1-(5-methyl-2-pyridinyl)methanamine.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-1-(5-methyl-2-pyridinyl)methanamine?
The canonical SMILES for N-[(3-methylphenyl)methyl]-1-(5-methyl-2-pyridinyl)methanamine is Cc1ccc(CNCc2cccc(C)c2)nc1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-1-(5-methyl-2-pyridinyl)methanamine?
The InChIKey is KDVIWAOPFYPECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-12-4-3-5-14(8-12)10-16-11-15-7-6-13(2)9-17-15/h3-9,16H,10-11H2,1-2H3.
What are the key properties of N-[(3-methylphenyl)methyl]-1-(5-methyl-2-pyridinyl)methanamine?
N-[(3-methylphenyl)methyl]-1-(5-methyl-2-pyridinyl)methanamine has a molecular weight of 226.32 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-1-(5-methyl-2-pyridinyl)methanamine is sourced from PubChem (CID 80708063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).