N-[(3-aminophenyl)methyl]-N-cyclopropyl-3-methylpyridin-2-amine

C16H19N3 — CID 62254254

IUPACN-[(3-aminophenyl)methyl]-N-cyclopropyl-3-methylpyridin-2-amine
SMILESCc1cccnc1N(Cc1cccc(N)c1)C1CC1
InChIInChI=1S/C16H19N3/c1-12-4-3-9-18-16(12)19(15-7-8-15)11-13-5-2-6-14(17)10-13/h2-6,9-10,15H,7-8,11,17H2,1H3
InChIKeyPMVGVGHDPMBHSU-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.14
Rot. Bonds4

About N-[(3-aminophenyl)methyl]-N-cyclopropyl-3-methylpyridin-2-amine

N-[(3-aminophenyl)methyl]-N-cyclopropyl-3-methylpyridin-2-amine (PubChem CID 62254254) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-N-cyclopropyl-3-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-N-cyclopropyl-3-methylpyridin-2-amine
PubChem CID62254254
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC NameN-[(3-aminophenyl)methyl]-N-cyclopropyl-3-methylpyridin-2-amine
SMILESCc1cccnc1N(Cc1cccc(N)c1)C1CC1
InChIInChI=1S/C16H19N3/c1-12-4-3-9-18-16(12)19(15-7-8-15)11-13-5-2-6-14(17)10-13/h2-6,9-10,15H,7-8,11,17H2,1H3
InChIKeyPMVGVGHDPMBHSU-UHFFFAOYSA-N
XLogP3.14
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.14
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

3-[[cyclopropyl-[(3,5-dimethylphenyl)methyl]amino]methyl]aniline
CID 61030225
3-[[(3-methyl-2-pyridinyl)methyl-propan-2-ylamino]methyl]aniline
CID 115982039
N-[(3-aminophenyl)methyl]-N-ethyl-3-methylpyridine-2-carboxamide
CID 62340614
4-[(3-aminophenyl)methyl-cyclopropylamino]pyridine-2-carboxamide
CID 60876467
N-(2-bromoethyl)-N-cyclopentyl-3-methylpyridin-2-amine
CID 80668380
2-N-benzyl-2-N-cyclopropyl-5-methylpyridine-2,4-diamine
CID 83266619
2-[(4-aminophenyl)methyl-cyclopropylamino]pyridine-3-carbonitrile
CID 60876489
6-[(3-aminophenyl)methyl-cyclopropylamino]pyridine-2-carboxamide
CID 64588996
N-[(3-aminophenyl)methyl]-N-cyclopropylmethanesulfonamide
CID 43460760
4-[[(3-aminophenyl)methyl-cyclopropylamino]methyl]pyridine-2-carbonitrile
CID 63880970
3-[[cyclopropyl-[(1-methylpyrazol-3-yl)methyl]amino]methyl]aniline
CID 82865728
2-N-methyl-2-N-[(3-methylphenyl)methyl]pyridine-2,3-diamine
CID 61414258

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-N-cyclopropyl-3-methylpyridin-2-amine?
The IUPAC name of N-[(3-aminophenyl)methyl]-N-cyclopropyl-3-methylpyridin-2-amine (CID 62254254) is N-[(3-aminophenyl)methyl]-N-cyclopropyl-3-methylpyridin-2-amine.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-N-cyclopropyl-3-methylpyridin-2-amine?
The canonical SMILES for N-[(3-aminophenyl)methyl]-N-cyclopropyl-3-methylpyridin-2-amine is Cc1cccnc1N(Cc1cccc(N)c1)C1CC1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-N-cyclopropyl-3-methylpyridin-2-amine?
The InChIKey is PMVGVGHDPMBHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-12-4-3-9-18-16(12)19(15-7-8-15)11-13-5-2-6-14(17)10-13/h2-6,9-10,15H,7-8,11,17H2,1H3.
What are the key properties of N-[(3-aminophenyl)methyl]-N-cyclopropyl-3-methylpyridin-2-amine?
N-[(3-aminophenyl)methyl]-N-cyclopropyl-3-methylpyridin-2-amine has a molecular weight of 253.35 g/mol, XLogP of 3.14, 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-cyclopropyl-3-methylpyridin-2-amine is sourced from PubChem (CID 62254254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).