N-[2-(1-chloroethyl)phenyl]furo[3,2-c]pyridin-4-amine

C15H13ClN2O — CID 106535673

IUPACN-[2-(1-chloroethyl)phenyl]furo[3,2-c]pyridin-4-amine
SMILESCC(Cl)c1ccccc1Nc1nccc2occc12
InChIInChI=1S/C15H13ClN2O/c1-10(16)11-4-2-3-5-13(11)18-15-12-7-9-19-14(12)6-8-17-15/h2-10H,1H3,(H,17,18)
InChIKeyWKUMSBJWZQPZFI-UHFFFAOYSA-N
MW272.74 g/mol
LogP4.87
Rot. Bonds3

About N-[2-(1-chloroethyl)phenyl]furo[3,2-c]pyridin-4-amine

N-[2-(1-chloroethyl)phenyl]furo[3,2-c]pyridin-4-amine (PubChem CID 106535673) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is N-[2-(1-chloroethyl)phenyl]furo[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-[2-(1-chloroethyl)phenyl]furo[3,2-c]pyridin-4-amine
PubChem CID106535673
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC NameN-[2-(1-chloroethyl)phenyl]furo[3,2-c]pyridin-4-amine
SMILESCC(Cl)c1ccccc1Nc1nccc2occc12
InChIInChI=1S/C15H13ClN2O/c1-10(16)11-4-2-3-5-13(11)18-15-12-7-9-19-14(12)6-8-17-15/h2-10H,1H3,(H,17,18)
InChIKeyWKUMSBJWZQPZFI-UHFFFAOYSA-N
XLogP4.87
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(1-chloroethyl)phenyl]furo[3,2-c]pyridin-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

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-chloroethyl)phenyl]furo[3,2-c]pyridin-4-amine?
The IUPAC name of N-[2-(1-chloroethyl)phenyl]furo[3,2-c]pyridin-4-amine (CID 106535673) is N-[2-(1-chloroethyl)phenyl]furo[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-[2-(1-chloroethyl)phenyl]furo[3,2-c]pyridin-4-amine?
The canonical SMILES for N-[2-(1-chloroethyl)phenyl]furo[3,2-c]pyridin-4-amine is CC(Cl)c1ccccc1Nc1nccc2occc12.
What is the InChIKey of N-[2-(1-chloroethyl)phenyl]furo[3,2-c]pyridin-4-amine?
The InChIKey is WKUMSBJWZQPZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c1-10(16)11-4-2-3-5-13(11)18-15-12-7-9-19-14(12)6-8-17-15/h2-10H,1H3,(H,17,18).
What are the key properties of N-[2-(1-chloroethyl)phenyl]furo[3,2-c]pyridin-4-amine?
N-[2-(1-chloroethyl)phenyl]furo[3,2-c]pyridin-4-amine has a molecular weight of 272.74 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-chloroethyl)phenyl]furo[3,2-c]pyridin-4-amine is sourced from PubChem (CID 106535673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).