3-chloro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]aniline

C17H16ClNO — CID 43762035

IUPAC3-chloro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]aniline
SMILESCc1c(C(C)Nc2cccc(Cl)c2)oc2ccccc12
InChIInChI=1S/C17H16ClNO/c1-11-15-8-3-4-9-16(15)20-17(11)12(2)19-14-7-5-6-13(18)10-14/h3-10,12,19H,1-2H3
InChIKeyQSVNOLMZRRUJBX-UHFFFAOYSA-N
MW285.77 g/mol
LogP5.57
Rot. Bonds3

About 3-chloro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]aniline

3-chloro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]aniline (PubChem CID 43762035) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is 3-chloro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]aniline.

Molecular Properties

Compound Name3-chloro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]aniline
PubChem CID43762035
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC Name3-chloro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]aniline
SMILESCc1c(C(C)Nc2cccc(Cl)c2)oc2ccccc12
InChIInChI=1S/C17H16ClNO/c1-11-15-8-3-4-9-16(15)20-17(11)12(2)19-14-7-5-6-13(18)10-14/h3-10,12,19H,1-2H3
InChIKeyQSVNOLMZRRUJBX-UHFFFAOYSA-N
XLogP5.57
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.77
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-chloro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]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

4-chloro-2-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]aniline
CID 43766524
4-fluoro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]aniline
CID 43762928
3-bromo-2-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]aniline
CID 107629648
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-propan-2-ylpyrazol-4-amine
CID 62904419
3-[(3-chlorophenyl)sulfonylamino]-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propanamide
CID 55933558
3-chloro-N-(1-naphthalen-2-ylethyl)aniline
CID 43098367
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]methanesulfonamide
CID 47062264
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 43754997
3,5-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1H-pyrazol-4-amine
CID 43777165
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43781331
N-(dicyclopropylmethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine
CID 43768499
1-(furan-2-yl)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]ethanamine
CID 43776740

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]aniline?
The IUPAC name of 3-chloro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]aniline (CID 43762035) is 3-chloro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]aniline.
What is the SMILES notation for 3-chloro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]aniline?
The canonical SMILES for 3-chloro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]aniline is Cc1c(C(C)Nc2cccc(Cl)c2)oc2ccccc12.
What is the InChIKey of 3-chloro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]aniline?
The InChIKey is QSVNOLMZRRUJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO/c1-11-15-8-3-4-9-16(15)20-17(11)12(2)19-14-7-5-6-13(18)10-14/h3-10,12,19H,1-2H3.
What are the key properties of 3-chloro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]aniline?
3-chloro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]aniline has a molecular weight of 285.77 g/mol, XLogP of 5.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]aniline is sourced from PubChem (CID 43762035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).