N-[[4-(anilinomethyl)phenyl]methyl]pyridin-4-amine

C19H19N3 — CID 167597738

IUPACN-[[4-(anilinomethyl)phenyl]methyl]pyridin-4-amine
SMILESc1ccc(NCc2ccc(CNc3ccncc3)cc2)cc1
InChIInChI=1S/C19H19N3/c1-2-4-18(5-3-1)21-14-16-6-8-17(9-7-16)15-22-19-10-12-20-13-11-19/h1-13,21H,14-15H2,(H,20,22)
InChIKeyXVEXOWFJJFCLLV-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.31
Rot. Bonds6

About N-[[4-(anilinomethyl)phenyl]methyl]pyridin-4-amine

N-[[4-(anilinomethyl)phenyl]methyl]pyridin-4-amine (PubChem CID 167597738) has the molecular formula C19H19N3 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[[4-(anilinomethyl)phenyl]methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-[[4-(anilinomethyl)phenyl]methyl]pyridin-4-amine
PubChem CID167597738
Molecular FormulaC19H19N3
Molecular Weight289.38 g/mol
Exact Mass289.16
IUPAC NameN-[[4-(anilinomethyl)phenyl]methyl]pyridin-4-amine
SMILESc1ccc(NCc2ccc(CNc3ccncc3)cc2)cc1
InChIInChI=1S/C19H19N3/c1-2-4-18(5-3-1)21-14-16-6-8-17(9-7-16)15-22-19-10-12-20-13-11-19/h1-13,21H,14-15H2,(H,20,22)
InChIKeyXVEXOWFJJFCLLV-UHFFFAOYSA-N
XLogP4.31
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[4-[(pyridin-4-ylamino)methyl]phenyl]phenyl]methyl]pyridin-4-amine
CID 130329770
N-[[4-(aminomethyl)phenyl]methyl]pyridin-4-amine
CID 60918879
CID 163931246
CID 163931246
N-[(4-phenylphenyl)methyl]aniline
CID 10658964
N-benzylpyridin-3-amine;dihydrochloride
CID 71432393
4-(anilinomethyl)aniline;dihydrochloride
CID 517605
N-[(4-tert-butylphenyl)methyl]aniline
CID 15903167
N-[(4-imidazol-1-ylphenyl)methyl]aniline
CID 43229289
4-[(pyridin-4-ylamino)methyl]benzenesulfonamide
CID 29036567
2-phenyl-N-[4-(pyridin-4-ylmethylamino)phenyl]acetamide
CID 112983139
1-[3-(pyridin-4-ylmethylamino)phenyl]cyclopropane-1-carboxylic acid
CID 167807720
N-[(3-phenylmethoxyphenyl)methyl]pyridin-4-amine
CID 141029302

Frequently Asked Questions

What is the IUPAC name of N-[[4-(anilinomethyl)phenyl]methyl]pyridin-4-amine?
The IUPAC name of N-[[4-(anilinomethyl)phenyl]methyl]pyridin-4-amine (CID 167597738) is N-[[4-(anilinomethyl)phenyl]methyl]pyridin-4-amine.
What is the SMILES notation for N-[[4-(anilinomethyl)phenyl]methyl]pyridin-4-amine?
The canonical SMILES for N-[[4-(anilinomethyl)phenyl]methyl]pyridin-4-amine is c1ccc(NCc2ccc(CNc3ccncc3)cc2)cc1.
What is the InChIKey of N-[[4-(anilinomethyl)phenyl]methyl]pyridin-4-amine?
The InChIKey is XVEXOWFJJFCLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3/c1-2-4-18(5-3-1)21-14-16-6-8-17(9-7-16)15-22-19-10-12-20-13-11-19/h1-13,21H,14-15H2,(H,20,22).
What are the key properties of N-[[4-(anilinomethyl)phenyl]methyl]pyridin-4-amine?
N-[[4-(anilinomethyl)phenyl]methyl]pyridin-4-amine has a molecular weight of 289.38 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(anilinomethyl)phenyl]methyl]pyridin-4-amine is sourced from PubChem (CID 167597738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).