N-[(3-aminophenyl)methyl]-N-propan-2-ylpyridin-4-amine

C15H19N3 — CID 60876264

IUPACN-[(3-aminophenyl)methyl]-N-propan-2-ylpyridin-4-amine
SMILESCC(C)N(Cc1cccc(N)c1)c1ccncc1
InChIInChI=1S/C15H19N3/c1-12(2)18(15-6-8-17-9-7-15)11-13-4-3-5-14(16)10-13/h3-10,12H,11,16H2,1-2H3
InChIKeyYJITWCRARFLVHG-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.08
Rot. Bonds4

About N-[(3-aminophenyl)methyl]-N-propan-2-ylpyridin-4-amine

N-[(3-aminophenyl)methyl]-N-propan-2-ylpyridin-4-amine (PubChem CID 60876264) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-N-propan-2-ylpyridin-4-amine.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-N-propan-2-ylpyridin-4-amine
PubChem CID60876264
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-[(3-aminophenyl)methyl]-N-propan-2-ylpyridin-4-amine
SMILESCC(C)N(Cc1cccc(N)c1)c1ccncc1
InChIInChI=1S/C15H19N3/c1-12(2)18(15-6-8-17-9-7-15)11-13-4-3-5-14(16)10-13/h3-10,12H,11,16H2,1-2H3
InChIKeyYJITWCRARFLVHG-UHFFFAOYSA-N
XLogP3.08
TPSA42.15 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 ≤ 53.08
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-methylpyridin-4-amine
CID 60877422
5-[(3-aminophenyl)methyl-propan-2-ylamino]pyridine-2-carbonitrile
CID 115490479
N-[(3-aminophenyl)methyl]-5-bromo-N-propan-2-ylpyrimidin-2-amine
CID 55251181
3-[(3-aminophenyl)methyl-propan-2-ylamino]pyrazine-2-carboxamide
CID 62685321
N-[(3-aminophenyl)methyl]-4-ethyl-N-propan-2-yl-1,3-thiazol-2-amine
CID 62960824
3-[[ethyl(2-methylpropyl)amino]methyl]aniline
CID 43273295
3-[[(5-methyl-3-pyridinyl)methyl-propan-2-ylamino]methyl]aniline
CID 102881505
N-[(3-aminophenyl)methyl]-N-ethylpyridine-4-carboxamide
CID 43459023
3-[[propan-2-yl(pyridin-2-ylmethyl)amino]methyl]aniline
CID 43460245
3-[[3-fluoropropyl(propan-2-yl)amino]methyl]aniline
CID 81105778
3-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 43384051
N'-[(3-aminophenyl)methyl]-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
CID 43460249

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-N-propan-2-ylpyridin-4-amine?
The IUPAC name of N-[(3-aminophenyl)methyl]-N-propan-2-ylpyridin-4-amine (CID 60876264) is N-[(3-aminophenyl)methyl]-N-propan-2-ylpyridin-4-amine.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-N-propan-2-ylpyridin-4-amine?
The canonical SMILES for N-[(3-aminophenyl)methyl]-N-propan-2-ylpyridin-4-amine is CC(C)N(Cc1cccc(N)c1)c1ccncc1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-N-propan-2-ylpyridin-4-amine?
The InChIKey is YJITWCRARFLVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-12(2)18(15-6-8-17-9-7-15)11-13-4-3-5-14(16)10-13/h3-10,12H,11,16H2,1-2H3.
What are the key properties of N-[(3-aminophenyl)methyl]-N-propan-2-ylpyridin-4-amine?
N-[(3-aminophenyl)methyl]-N-propan-2-ylpyridin-4-amine has a molecular weight of 241.34 g/mol, XLogP of 3.08, 4 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-propan-2-ylpyridin-4-amine is sourced from PubChem (CID 60876264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).