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

C12H12ClN3 — CID 60877011

IUPACN-[(4-aminophenyl)methyl]-3-chloropyridin-2-amine
SMILESNc1ccc(CNc2ncccc2Cl)cc1
InChIInChI=1S/C12H12ClN3/c13-11-2-1-7-15-12(11)16-8-9-3-5-10(14)6-4-9/h1-7H,8,14H2,(H,15,16)
InChIKeyOXABCJBFCLRHLV-UHFFFAOYSA-N
MW233.70 g/mol
LogP2.93
Rot. Bonds3

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

N-[(4-aminophenyl)methyl]-3-chloropyridin-2-amine (PubChem CID 60877011) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-3-chloropyridin-2-amine.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-3-chloropyridin-2-amine
PubChem CID60877011
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC NameN-[(4-aminophenyl)methyl]-3-chloropyridin-2-amine
SMILESNc1ccc(CNc2ncccc2Cl)cc1
InChIInChI=1S/C12H12ClN3/c13-11-2-1-7-15-12(11)16-8-9-3-5-10(14)6-4-9/h1-7H,8,14H2,(H,15,16)
InChIKeyOXABCJBFCLRHLV-UHFFFAOYSA-N
XLogP2.93
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-3-chloropyridin-2-amine
CID 54936217
N-[2-(4-aminophenyl)ethyl]-3-chloropyridin-2-amine
CID 61220420
[4-[[(3-chloro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107232377
N-[(4-aminophenyl)methyl]-5-bromo-3-chloropyridin-2-amine
CID 103582888
N-[(4-chlorophenyl)methyl]-3-methylpyridin-2-amine
CID 60704947
N-[(4-aminophenyl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine
CID 60876439
3-chloro-N-(1H-imidazol-2-ylmethyl)pyridin-2-amine
CID 64531503
3-chloro-N-(3-chloropropyl)pyridin-2-amine
CID 65030223
(2S)-1-N-(3-chloro-2-pyridinyl)propane-1,2-diamine
CID 142991116
2-N-[(3-chlorophenyl)methyl]pyridine-2,3-diamine
CID 62537408
3-chloro-N-[(5-methylthiophen-2-yl)methyl]pyridin-2-amine
CID 62057687
3-chloro-N-[(2,4-difluorophenyl)methyl]pyridin-2-amine
CID 62228513

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-3-chloropyridin-2-amine?
The IUPAC name of N-[(4-aminophenyl)methyl]-3-chloropyridin-2-amine (CID 60877011) is N-[(4-aminophenyl)methyl]-3-chloropyridin-2-amine.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-3-chloropyridin-2-amine?
The canonical SMILES for N-[(4-aminophenyl)methyl]-3-chloropyridin-2-amine is Nc1ccc(CNc2ncccc2Cl)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-3-chloropyridin-2-amine?
The InChIKey is OXABCJBFCLRHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c13-11-2-1-7-15-12(11)16-8-9-3-5-10(14)6-4-9/h1-7H,8,14H2,(H,15,16).
What are the key properties of N-[(4-aminophenyl)methyl]-3-chloropyridin-2-amine?
N-[(4-aminophenyl)methyl]-3-chloropyridin-2-amine has a molecular weight of 233.70 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-3-chloropyridin-2-amine is sourced from PubChem (CID 60877011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).