N-[(3,5-dimethylphenyl)methyl]-6-methylpyridin-3-amine

C15H18N2 — CID 81497641

IUPACN-[(3,5-dimethylphenyl)methyl]-6-methylpyridin-3-amine
SMILESCc1cc(C)cc(CNc2ccc(C)nc2)c1
InChIInChI=1S/C15H18N2/c1-11-6-12(2)8-14(7-11)9-17-15-5-4-13(3)16-10-15/h4-8,10,17H,9H2,1-3H3
InChIKeyKVPNDDQTCYEMAM-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.62
Rot. Bonds3

About N-[(3,5-dimethylphenyl)methyl]-6-methylpyridin-3-amine

N-[(3,5-dimethylphenyl)methyl]-6-methylpyridin-3-amine (PubChem CID 81497641) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-[(3,5-dimethylphenyl)methyl]-6-methylpyridin-3-amine.

Molecular Properties

Compound NameN-[(3,5-dimethylphenyl)methyl]-6-methylpyridin-3-amine
PubChem CID81497641
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC NameN-[(3,5-dimethylphenyl)methyl]-6-methylpyridin-3-amine
SMILESCc1cc(C)cc(CNc2ccc(C)nc2)c1
InChIInChI=1S/C15H18N2/c1-11-6-12(2)8-14(7-11)9-17-15-5-4-13(3)16-10-15/h4-8,10,17H,9H2,1-3H3
InChIKeyKVPNDDQTCYEMAM-UHFFFAOYSA-N
XLogP3.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylphenyl)methyl]-6-methylpyridin-3-amine?
The IUPAC name of N-[(3,5-dimethylphenyl)methyl]-6-methylpyridin-3-amine (CID 81497641) is N-[(3,5-dimethylphenyl)methyl]-6-methylpyridin-3-amine.
What is the SMILES notation for N-[(3,5-dimethylphenyl)methyl]-6-methylpyridin-3-amine?
The canonical SMILES for N-[(3,5-dimethylphenyl)methyl]-6-methylpyridin-3-amine is Cc1cc(C)cc(CNc2ccc(C)nc2)c1.
What is the InChIKey of N-[(3,5-dimethylphenyl)methyl]-6-methylpyridin-3-amine?
The InChIKey is KVPNDDQTCYEMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-11-6-12(2)8-14(7-11)9-17-15-5-4-13(3)16-10-15/h4-8,10,17H,9H2,1-3H3.
What are the key properties of N-[(3,5-dimethylphenyl)methyl]-6-methylpyridin-3-amine?
N-[(3,5-dimethylphenyl)methyl]-6-methylpyridin-3-amine has a molecular weight of 226.32 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylphenyl)methyl]-6-methylpyridin-3-amine is sourced from PubChem (CID 81497641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).