N-[(4-aminophenyl)methyl]-3-chloro-N-cyclopropylpyridin-4-amine

C15H16ClN3 — CID 79840541

IUPACN-[(4-aminophenyl)methyl]-3-chloro-N-cyclopropylpyridin-4-amine
SMILESNc1ccc(CN(c2ccncc2Cl)C2CC2)cc1
InChIInChI=1S/C15H16ClN3/c16-14-9-18-8-7-15(14)19(13-5-6-13)10-11-1-3-12(17)4-2-11/h1-4,7-9,13H,5-6,10,17H2
InChIKeyDUGWXEOTHMNIAA-UHFFFAOYSA-N
MW273.77 g/mol
LogP3.49
Rot. Bonds4

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

N-[(4-aminophenyl)methyl]-3-chloro-N-cyclopropylpyridin-4-amine (PubChem CID 79840541) has the molecular formula C15H16ClN3 and a molecular weight of 273.77 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-3-chloro-N-cyclopropylpyridin-4-amine.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-3-chloro-N-cyclopropylpyridin-4-amine
PubChem CID79840541
Molecular FormulaC15H16ClN3
Molecular Weight273.77 g/mol
Exact Mass273.10
IUPAC NameN-[(4-aminophenyl)methyl]-3-chloro-N-cyclopropylpyridin-4-amine
SMILESNc1ccc(CN(c2ccncc2Cl)C2CC2)cc1
InChIInChI=1S/C15H16ClN3/c16-14-9-18-8-7-15(14)19(13-5-6-13)10-11-1-3-12(17)4-2-11/h1-4,7-9,13H,5-6,10,17H2
InChIKeyDUGWXEOTHMNIAA-UHFFFAOYSA-N
XLogP3.49
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[(4-aminophenyl)methyl]-3-chloro-N-cyclopropylpyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(Pyridin-4-yl)methyl]aniline
CID 307158
2,4-dichloro-N-[(pyridin-3-yl)methyl]aniline
CID 2804511
4-chloro-N-(pyridin-3-ylmethyl)aniline
CID 2804545
4-(Benzylamino)-2-chloronicotinonitrile
CID 788151
1-[(4-Chlorophenyl)methyl]-3-pyridin-4-ylthiourea
CID 969886
N,N-dimethyl-4-[(E)-2-pyridin-4-ylethenyl]aniline
CID 688200
2-Chloro-5-[(2-methylpiperidin-1-yl)methyl]pyridine
CID 3711158
4-(4-Chlorostyryl)pyridine
CID 735607
1-[(2,6-dichlorophenyl)methyl]-N,N-dimethylpyridin-1-ium-4-amine chloride
CID 9549161
1-Benzyl-4-(dimethylamino)pyridinium
CID 650665
1-[(6-Chloro-3-pyridinyl)methyl]-4-phenylpiperazine
CID 1473522
4-[1-(4-Chlorophenyl)aziridin-2-yl]pyridine
CID 3744755

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-3-chloro-N-cyclopropylpyridin-4-amine?
The IUPAC name of N-[(4-aminophenyl)methyl]-3-chloro-N-cyclopropylpyridin-4-amine (CID 79840541) is N-[(4-aminophenyl)methyl]-3-chloro-N-cyclopropylpyridin-4-amine.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-3-chloro-N-cyclopropylpyridin-4-amine?
The canonical SMILES for N-[(4-aminophenyl)methyl]-3-chloro-N-cyclopropylpyridin-4-amine is Nc1ccc(CN(c2ccncc2Cl)C2CC2)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-3-chloro-N-cyclopropylpyridin-4-amine?
The InChIKey is DUGWXEOTHMNIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3/c16-14-9-18-8-7-15(14)19(13-5-6-13)10-11-1-3-12(17)4-2-11/h1-4,7-9,13H,5-6,10,17H2.
What are the key properties of N-[(4-aminophenyl)methyl]-3-chloro-N-cyclopropylpyridin-4-amine?
N-[(4-aminophenyl)methyl]-3-chloro-N-cyclopropylpyridin-4-amine has a molecular weight of 273.77 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-3-chloro-N-cyclopropylpyridin-4-amine is sourced from PubChem (CID 79840541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).