N-[[7-(3-chlorophenyl)-2,3-dihydro-1-benzofuran-5-yl]methyl]pyridin-3-amine

C20H17ClN2O — CID 155552281

IUPACN-[[7-(3-chlorophenyl)-2,3-dihydro-1-benzofuran-5-yl]methyl]pyridin-3-amine
SMILESClc1cccc(-c2cc(CNc3cccnc3)cc3c2OCC3)c1
InChIInChI=1S/C20H17ClN2O/c21-17-4-1-3-15(11-17)19-10-14(9-16-6-8-24-20(16)19)12-23-18-5-2-7-22-13-18/h1-5,7,9-11,13,23H,6,8,12H2
InChIKeyMGVARZGXPCNAES-UHFFFAOYSA-N
MW336.82 g/mol
LogP4.95
Rot. Bonds4

About N-[[7-(3-chlorophenyl)-2,3-dihydro-1-benzofuran-5-yl]methyl]pyridin-3-amine

N-[[7-(3-chlorophenyl)-2,3-dihydro-1-benzofuran-5-yl]methyl]pyridin-3-amine (PubChem CID 155552281) has the molecular formula C20H17ClN2O and a molecular weight of 336.82 g/mol. Its IUPAC name is N-[[7-(3-chlorophenyl)-2,3-dihydro-1-benzofuran-5-yl]methyl]pyridin-3-amine.

Molecular Properties

Compound NameN-[[7-(3-chlorophenyl)-2,3-dihydro-1-benzofuran-5-yl]methyl]pyridin-3-amine
PubChem CID155552281
Molecular FormulaC20H17ClN2O
Molecular Weight336.82 g/mol
Exact Mass336.10
IUPAC NameN-[[7-(3-chlorophenyl)-2,3-dihydro-1-benzofuran-5-yl]methyl]pyridin-3-amine
SMILESClc1cccc(-c2cc(CNc3cccnc3)cc3c2OCC3)c1
InChIInChI=1S/C20H17ClN2O/c21-17-4-1-3-15(11-17)19-10-14(9-16-6-8-24-20(16)19)12-23-18-5-2-7-22-13-18/h1-5,7,9-11,13,23H,6,8,12H2
InChIKeyMGVARZGXPCNAES-UHFFFAOYSA-N
XLogP4.95
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[7-(3-chlorophenyl)-2,3-dihydro-1-benzofuran-5-yl]methyl]pyridin-3-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-[[7-(3-chlorophenyl)-2,3-dihydro-1-benzofuran-5-yl]methyl]pyridin-3-amine?
The IUPAC name of N-[[7-(3-chlorophenyl)-2,3-dihydro-1-benzofuran-5-yl]methyl]pyridin-3-amine (CID 155552281) is N-[[7-(3-chlorophenyl)-2,3-dihydro-1-benzofuran-5-yl]methyl]pyridin-3-amine.
What is the SMILES notation for N-[[7-(3-chlorophenyl)-2,3-dihydro-1-benzofuran-5-yl]methyl]pyridin-3-amine?
The canonical SMILES for N-[[7-(3-chlorophenyl)-2,3-dihydro-1-benzofuran-5-yl]methyl]pyridin-3-amine is Clc1cccc(-c2cc(CNc3cccnc3)cc3c2OCC3)c1.
What is the InChIKey of N-[[7-(3-chlorophenyl)-2,3-dihydro-1-benzofuran-5-yl]methyl]pyridin-3-amine?
The InChIKey is MGVARZGXPCNAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O/c21-17-4-1-3-15(11-17)19-10-14(9-16-6-8-24-20(16)19)12-23-18-5-2-7-22-13-18/h1-5,7,9-11,13,23H,6,8,12H2.
What are the key properties of N-[[7-(3-chlorophenyl)-2,3-dihydro-1-benzofuran-5-yl]methyl]pyridin-3-amine?
N-[[7-(3-chlorophenyl)-2,3-dihydro-1-benzofuran-5-yl]methyl]pyridin-3-amine has a molecular weight of 336.82 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(3-chlorophenyl)-2,3-dihydro-1-benzofuran-5-yl]methyl]pyridin-3-amine is sourced from PubChem (CID 155552281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).