N-[[4-(dimethylamino)phenyl]methyl]-6-methylpyridin-2-amine

C15H19N3 — CID 975714

IUPACN-[[4-(dimethylamino)phenyl]methyl]-6-methylpyridin-2-amine
SMILESCc1cccc(NCc2ccc(N(C)C)cc2)n1
InChIInChI=1S/C15H19N3/c1-12-5-4-6-15(17-12)16-11-13-7-9-14(10-8-13)18(2)3/h4-10H,11H2,1-3H3,(H,16,17)
InChIKeyRULLLABMTMSBGQ-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.07
Rot. Bonds4

About N-[[4-(dimethylamino)phenyl]methyl]-6-methylpyridin-2-amine

N-[[4-(dimethylamino)phenyl]methyl]-6-methylpyridin-2-amine (PubChem CID 975714) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-6-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-6-methylpyridin-2-amine
PubChem CID975714
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-6-methylpyridin-2-amine
SMILESCc1cccc(NCc2ccc(N(C)C)cc2)n1
InChIInChI=1S/C15H19N3/c1-12-5-4-6-15(17-12)16-11-13-7-9-14(10-8-13)18(2)3/h4-10H,11H2,1-3H3,(H,16,17)
InChIKeyRULLLABMTMSBGQ-UHFFFAOYSA-N
XLogP3.07
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-6-methylpyridin-2-amine?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-6-methylpyridin-2-amine (CID 975714) is N-[[4-(dimethylamino)phenyl]methyl]-6-methylpyridin-2-amine.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-6-methylpyridin-2-amine?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-6-methylpyridin-2-amine is Cc1cccc(NCc2ccc(N(C)C)cc2)n1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-6-methylpyridin-2-amine?
The InChIKey is RULLLABMTMSBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-12-5-4-6-15(17-12)16-11-13-7-9-14(10-8-13)18(2)3/h4-10H,11H2,1-3H3,(H,16,17).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-6-methylpyridin-2-amine?
N-[[4-(dimethylamino)phenyl]methyl]-6-methylpyridin-2-amine has a molecular weight of 241.34 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-6-methylpyridin-2-amine is sourced from PubChem (CID 975714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).