N-[(2-aminophenyl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine

C16H20N4 — CID 66384847

IUPACN-[(2-aminophenyl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
SMILESNc1ccccc1CNc1cccnc1N1CCCC1
InChIInChI=1S/C16H20N4/c17-14-7-2-1-6-13(14)12-19-15-8-5-9-18-16(15)20-10-3-4-11-20/h1-2,5-9,19H,3-4,10-12,17H2
InChIKeyDCILDHRQWIIOAG-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.88
Rot. Bonds4

About N-[(2-aminophenyl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine

N-[(2-aminophenyl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine (PubChem CID 66384847) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
PubChem CID66384847
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC NameN-[(2-aminophenyl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
SMILESNc1ccccc1CNc1cccnc1N1CCCC1
InChIInChI=1S/C16H20N4/c17-14-7-2-1-6-13(14)12-19-15-8-5-9-18-16(15)20-10-3-4-11-20/h1-2,5-9,19H,3-4,10-12,17H2
InChIKeyDCILDHRQWIIOAG-UHFFFAOYSA-N
XLogP2.88
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine?
The IUPAC name of N-[(2-aminophenyl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine (CID 66384847) is N-[(2-aminophenyl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine?
The canonical SMILES for N-[(2-aminophenyl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine is Nc1ccccc1CNc1cccnc1N1CCCC1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine?
The InChIKey is DCILDHRQWIIOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c17-14-7-2-1-6-13(14)12-19-15-8-5-9-18-16(15)20-10-3-4-11-20/h1-2,5-9,19H,3-4,10-12,17H2.
What are the key properties of N-[(2-aminophenyl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine?
N-[(2-aminophenyl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine has a molecular weight of 268.36 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine is sourced from PubChem (CID 66384847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).