N-[1-benzofuran-2-yl-(2-chloro-4-methylphenyl)methyl]ethanamine

C18H18ClNO — CID 106858678

IUPACN-[1-benzofuran-2-yl-(2-chloro-4-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cc2ccccc2o1)c1ccc(C)cc1Cl
InChIInChI=1S/C18H18ClNO/c1-3-20-18(14-9-8-12(2)10-15(14)19)17-11-13-6-4-5-7-16(13)21-17/h4-11,18,20H,3H2,1-2H3
InChIKeyOWUBVTSBUPOIMP-UHFFFAOYSA-N
MW299.80 g/mol
LogP5.09
Rot. Bonds4

About N-[1-benzofuran-2-yl-(2-chloro-4-methylphenyl)methyl]ethanamine

N-[1-benzofuran-2-yl-(2-chloro-4-methylphenyl)methyl]ethanamine (PubChem CID 106858678) has the molecular formula C18H18ClNO and a molecular weight of 299.80 g/mol. Its IUPAC name is N-[1-benzofuran-2-yl-(2-chloro-4-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[1-benzofuran-2-yl-(2-chloro-4-methylphenyl)methyl]ethanamine
PubChem CID106858678
Molecular FormulaC18H18ClNO
Molecular Weight299.80 g/mol
Exact Mass299.11
IUPAC NameN-[1-benzofuran-2-yl-(2-chloro-4-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cc2ccccc2o1)c1ccc(C)cc1Cl
InChIInChI=1S/C18H18ClNO/c1-3-20-18(14-9-8-12(2)10-15(14)19)17-11-13-6-4-5-7-16(13)21-17/h4-11,18,20H,3H2,1-2H3
InChIKeyOWUBVTSBUPOIMP-UHFFFAOYSA-N
XLogP5.09
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.80
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-benzofuran-2-yl-(4-bromo-2-chlorophenyl)methyl]ethanamine
CID 105043926
N-[1-benzofuran-2-yl-(2,4-dimethylphenyl)methyl]ethanamine
CID 63091494
N-[1-benzofuran-2-yl-(2,5-dichlorophenyl)methyl]ethanamine
CID 63418365
N-[1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 63091851
N-[1-benzofuran-2-yl-(4-bromo-2-fluorophenyl)methyl]ethanamine
CID 114906570
N-[1-benzofuran-2-yl-(2,5-dibromophenyl)methyl]ethanamine
CID 105044103
N-[(2-iodophenyl)-(5-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 105045279
N-[1-benzofuran-2-yl-(3-chloro-4-methylthiophen-2-yl)methyl]ethanamine
CID 103407408
N-[(2-chloro-4-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 106861014
N-[1-(1-benzofuran-2-yl)ethyl]-2-chloro-4-methylaniline
CID 43122562
1-(1-benzofuran-2-yl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 61064901
N-[(5-methyl-1-benzofuran-2-yl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102841419

Frequently Asked Questions

What is the IUPAC name of N-[1-benzofuran-2-yl-(2-chloro-4-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[1-benzofuran-2-yl-(2-chloro-4-methylphenyl)methyl]ethanamine (CID 106858678) is N-[1-benzofuran-2-yl-(2-chloro-4-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[1-benzofuran-2-yl-(2-chloro-4-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[1-benzofuran-2-yl-(2-chloro-4-methylphenyl)methyl]ethanamine is CCNC(c1cc2ccccc2o1)c1ccc(C)cc1Cl.
What is the InChIKey of N-[1-benzofuran-2-yl-(2-chloro-4-methylphenyl)methyl]ethanamine?
The InChIKey is OWUBVTSBUPOIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO/c1-3-20-18(14-9-8-12(2)10-15(14)19)17-11-13-6-4-5-7-16(13)21-17/h4-11,18,20H,3H2,1-2H3.
What are the key properties of N-[1-benzofuran-2-yl-(2-chloro-4-methylphenyl)methyl]ethanamine?
N-[1-benzofuran-2-yl-(2-chloro-4-methylphenyl)methyl]ethanamine has a molecular weight of 299.80 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzofuran-2-yl-(2-chloro-4-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 106858678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).