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

C13H14ClN3 — CID 54936217

IUPACN-[[4-(aminomethyl)phenyl]methyl]-3-chloropyridin-2-amine
SMILESNCc1ccc(CNc2ncccc2Cl)cc1
InChIInChI=1S/C13H14ClN3/c14-12-2-1-7-16-13(12)17-9-11-5-3-10(8-15)4-6-11/h1-7H,8-9,15H2,(H,16,17)
InChIKeyQHELYXFGMIIPFI-UHFFFAOYSA-N
MW247.73 g/mol
LogP2.81
Rot. Bonds4

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

N-[[4-(aminomethyl)phenyl]methyl]-3-chloropyridin-2-amine (PubChem CID 54936217) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-3-chloropyridin-2-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-3-chloropyridin-2-amine
PubChem CID54936217
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-3-chloropyridin-2-amine
SMILESNCc1ccc(CNc2ncccc2Cl)cc1
InChIInChI=1S/C13H14ClN3/c14-12-2-1-7-16-13(12)17-9-11-5-3-10(8-15)4-6-11/h1-7H,8-9,15H2,(H,16,17)
InChIKeyQHELYXFGMIIPFI-UHFFFAOYSA-N
XLogP2.81
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-3-chloropyridin-2-amine?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-3-chloropyridin-2-amine (CID 54936217) is N-[[4-(aminomethyl)phenyl]methyl]-3-chloropyridin-2-amine.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-3-chloropyridin-2-amine?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-3-chloropyridin-2-amine is NCc1ccc(CNc2ncccc2Cl)cc1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-3-chloropyridin-2-amine?
The InChIKey is QHELYXFGMIIPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c14-12-2-1-7-16-13(12)17-9-11-5-3-10(8-15)4-6-11/h1-7H,8-9,15H2,(H,16,17).
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-3-chloropyridin-2-amine?
N-[[4-(aminomethyl)phenyl]methyl]-3-chloropyridin-2-amine has a molecular weight of 247.73 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-3-chloropyridin-2-amine is sourced from PubChem (CID 54936217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).