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

C16H16ClNO — CID 66365408

IUPAC4-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline
SMILESClCc1ccc(NCC2Cc3ccccc3O2)cc1
InChIInChI=1S/C16H16ClNO/c17-10-12-5-7-14(8-6-12)18-11-15-9-13-3-1-2-4-16(13)19-15/h1-8,15,18H,9-11H2
InChIKeyRLLZFYGPHYJPPK-UHFFFAOYSA-N
MW273.76 g/mol
LogP3.84
Rot. Bonds4

About 4-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline

4-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline (PubChem CID 66365408) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline
PubChem CID66365408
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name4-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline
SMILESClCc1ccc(NCC2Cc3ccccc3O2)cc1
InChIInChI=1S/C16H16ClNO/c17-10-12-5-7-14(8-6-12)18-11-15-9-13-3-1-2-4-16(13)19-15/h1-8,15,18H,9-11H2
InChIKeyRLLZFYGPHYJPPK-UHFFFAOYSA-N
XLogP3.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-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-2-ylmethyl)aniline
CID 54888631
1-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-N-phenylbenzene-1,4-diamine
CID 110179031
2-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline
CID 66365211
4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)benzoic acid
CID 62233384
propan-2-yl N-[[4-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methylamino]phenyl]methyl]carbamate
CID 124843929
5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)furan-2-carboxylic acid
CID 62233383
2-(2-chloroethyl)-2,3-dihydro-1-benzofuran
CID 141218488
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopropanamine
CID 43163825
N-benzyl-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 19063201
3-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 61003695
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methyl-3-nitroaniline
CID 62912118
3-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrazin-2-amine
CID 62234283

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline?
The IUPAC name of 4-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline (CID 66365408) is 4-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline.
What is the SMILES notation for 4-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline?
The canonical SMILES for 4-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline is ClCc1ccc(NCC2Cc3ccccc3O2)cc1.
What is the InChIKey of 4-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline?
The InChIKey is RLLZFYGPHYJPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c17-10-12-5-7-14(8-6-12)18-11-15-9-13-3-1-2-4-16(13)19-15/h1-8,15,18H,9-11H2.
What are the key properties of 4-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline?
4-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline has a molecular weight of 273.76 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline is sourced from PubChem (CID 66365408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).