N-[(3-aminophenyl)methyl]-N-methylpyridin-4-amine

C13H15N3 — CID 60877422

IUPACN-[(3-aminophenyl)methyl]-N-methylpyridin-4-amine
SMILESCN(Cc1cccc(N)c1)c1ccncc1
InChIInChI=1S/C13H15N3/c1-16(13-5-7-15-8-6-13)10-11-3-2-4-12(14)9-11/h2-9H,10,14H2,1H3
InChIKeyKCFKWWRRRWGXOM-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.30
Rot. Bonds3

About N-[(3-aminophenyl)methyl]-N-methylpyridin-4-amine

N-[(3-aminophenyl)methyl]-N-methylpyridin-4-amine (PubChem CID 60877422) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-N-methylpyridin-4-amine.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-N-methylpyridin-4-amine
PubChem CID60877422
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC NameN-[(3-aminophenyl)methyl]-N-methylpyridin-4-amine
SMILESCN(Cc1cccc(N)c1)c1ccncc1
InChIInChI=1S/C13H15N3/c1-16(13-5-7-15-8-6-13)10-11-3-2-4-12(14)9-11/h2-9H,10,14H2,1H3
InChIKeyKCFKWWRRRWGXOM-UHFFFAOYSA-N
XLogP2.30
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(3-aminophenyl)methyl]-N-propan-2-ylpyridin-4-amine
CID 60876264
N-[(3-aminophenyl)methyl]-N-methylpyrimidin-4-amine
CID 61253794
3-[[methyl(pyridin-4-yl)amino]methyl]benzenecarboximidamide
CID 62968427
N-[(3-aminophenyl)methyl]-N-ethylpyridine-4-carboxamide
CID 43459023
N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyridin-4-amine
CID 154730251
N-[(3-aminophenyl)methyl]-N,4-dimethylpyrimidin-2-amine
CID 55154379
aniline;N-benzyl-N-methylaniline
CID 163577424
N-[(3-aminophenyl)methyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115211829
4-N-[(3-chlorophenyl)methyl]-4-N-methylbenzene-1,4-diamine
CID 28895019
N-[(3-aminophenyl)methyl]-N,4-dimethylphthalazin-1-amine
CID 60877425
N-benzyl-N-methyl-4-pyridin-4-ylaniline
CID 23466191
3-N-methyl-3-N-(pyrimidin-2-ylmethyl)benzene-1,3-diamine
CID 62698436

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-N-methylpyridin-4-amine?
The IUPAC name of N-[(3-aminophenyl)methyl]-N-methylpyridin-4-amine (CID 60877422) is N-[(3-aminophenyl)methyl]-N-methylpyridin-4-amine.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-N-methylpyridin-4-amine?
The canonical SMILES for N-[(3-aminophenyl)methyl]-N-methylpyridin-4-amine is CN(Cc1cccc(N)c1)c1ccncc1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-N-methylpyridin-4-amine?
The InChIKey is KCFKWWRRRWGXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-16(13-5-7-15-8-6-13)10-11-3-2-4-12(14)9-11/h2-9H,10,14H2,1H3.
What are the key properties of N-[(3-aminophenyl)methyl]-N-methylpyridin-4-amine?
N-[(3-aminophenyl)methyl]-N-methylpyridin-4-amine has a molecular weight of 213.28 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-N-methylpyridin-4-amine is sourced from PubChem (CID 60877422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).