2-(1-chloroethyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline

C17H18ClNO — CID 79229682

IUPAC2-(1-chloroethyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline
SMILESCC(Cl)c1ccccc1NCC1COc2ccccc21
InChIInChI=1S/C17H18ClNO/c1-12(18)14-6-2-4-8-16(14)19-10-13-11-20-17-9-5-3-7-15(13)17/h2-9,12-13,19H,10-11H2,1H3
InChIKeyIWKDHBFBLALWSY-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.57
Rot. Bonds4

About 2-(1-chloroethyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline

2-(1-chloroethyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline (PubChem CID 79229682) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 2-(1-chloroethyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline.

Molecular Properties

Compound Name2-(1-chloroethyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline
PubChem CID79229682
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name2-(1-chloroethyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline
SMILESCC(Cl)c1ccccc1NCC1COc2ccccc21
InChIInChI=1S/C17H18ClNO/c1-12(18)14-6-2-4-8-16(14)19-10-13-11-20-17-9-5-3-7-15(13)17/h2-9,12-13,19H,10-11H2,1H3
InChIKeyIWKDHBFBLALWSY-UHFFFAOYSA-N
XLogP4.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1-chloroethyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline 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

N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-iodoaniline
CID 79226500
2-(difluoromethylsulfanyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline
CID 79218637
2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)benzonitrile
CID 79226177
2-(difluoromethoxy)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline
CID 79218655
(1S)-1-(2-bromophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine
CID 81383137
(1S)-1-cyclopentyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine
CID 81395215
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propan-2-ylaniline
CID 79226180
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanesulfonamide
CID 110751798
1-cyclopropyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine
CID 79227058
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,3-dimethylpyrazol-4-amine
CID 102805247
(2R)-2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoic acid
CID 83194430
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-iodo-3-methylbutan-2-amine
CID 107859372

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline?
The IUPAC name of 2-(1-chloroethyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline (CID 79229682) is 2-(1-chloroethyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline.
What is the SMILES notation for 2-(1-chloroethyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline?
The canonical SMILES for 2-(1-chloroethyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline is CC(Cl)c1ccccc1NCC1COc2ccccc21.
What is the InChIKey of 2-(1-chloroethyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline?
The InChIKey is IWKDHBFBLALWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-12(18)14-6-2-4-8-16(14)19-10-13-11-20-17-9-5-3-7-15(13)17/h2-9,12-13,19H,10-11H2,1H3.
What are the key properties of 2-(1-chloroethyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline?
2-(1-chloroethyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline has a molecular weight of 287.79 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline is sourced from PubChem (CID 79229682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).