N-[1-benzofuran-2-yl-(3-chloro-4-methylthiophen-2-yl)methyl]ethanamine

C16H16ClNOS — CID 103407408

IUPACN-[1-benzofuran-2-yl-(3-chloro-4-methylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cc2ccccc2o1)c1scc(C)c1Cl
InChIInChI=1S/C16H16ClNOS/c1-3-18-15(16-14(17)10(2)9-20-16)13-8-11-6-4-5-7-12(11)19-13/h4-9,15,18H,3H2,1-2H3
InChIKeyLYJKTMAVINIQLS-UHFFFAOYSA-N
MW305.83 g/mol
LogP5.16
Rot. Bonds4

About N-[1-benzofuran-2-yl-(3-chloro-4-methylthiophen-2-yl)methyl]ethanamine

N-[1-benzofuran-2-yl-(3-chloro-4-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 103407408) has the molecular formula C16H16ClNOS and a molecular weight of 305.83 g/mol. Its IUPAC name is N-[1-benzofuran-2-yl-(3-chloro-4-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[1-benzofuran-2-yl-(3-chloro-4-methylthiophen-2-yl)methyl]ethanamine
PubChem CID103407408
Molecular FormulaC16H16ClNOS
Molecular Weight305.83 g/mol
Exact Mass305.06
IUPAC NameN-[1-benzofuran-2-yl-(3-chloro-4-methylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cc2ccccc2o1)c1scc(C)c1Cl
InChIInChI=1S/C16H16ClNOS/c1-3-18-15(16-14(17)10(2)9-20-16)13-8-11-6-4-5-7-12(11)19-13/h4-9,15,18H,3H2,1-2H3
InChIKeyLYJKTMAVINIQLS-UHFFFAOYSA-N
XLogP5.16
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.83
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 103405840
N-[1-benzofuran-2-yl-(2-chloro-4-methylphenyl)methyl]ethanamine
CID 106858678
N-[1-benzofuran-2-yl-(2,4-dimethylphenyl)methyl]ethanamine
CID 63091494
N-[(3-chloro-4-methylthiophen-2-yl)-[5-(methoxymethyl)furan-2-yl]methyl]ethanamine
CID 103401425
N-[1-benzofuran-2-yl-(2,5-dichlorophenyl)methyl]ethanamine
CID 63418365
N-[(3-chloro-4-methylthiophen-2-yl)-(4-chlorophenyl)methyl]ethanamine
CID 103400778
N-[1-benzofuran-2-yl-(3-methyl-2-pyridinyl)methyl]ethanamine
CID 114728202
N-[1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 63091851
N-[1-benzofuran-2-yl-(4-bromo-2-chlorophenyl)methyl]ethanamine
CID 105043926
6-[(3-chloro-4-methylthiophen-2-yl)-(ethylamino)methyl]-3H-1,3-benzoxazol-2-one
CID 103400841
N-[(3-chloro-4-methylthiophen-2-yl)-(4-propylphenyl)methyl]ethanamine
CID 103400826
N-[(3-chloro-4-methylthiophen-2-yl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 103405896

Frequently Asked Questions

What is the IUPAC name of N-[1-benzofuran-2-yl-(3-chloro-4-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[1-benzofuran-2-yl-(3-chloro-4-methylthiophen-2-yl)methyl]ethanamine (CID 103407408) is N-[1-benzofuran-2-yl-(3-chloro-4-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[1-benzofuran-2-yl-(3-chloro-4-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[1-benzofuran-2-yl-(3-chloro-4-methylthiophen-2-yl)methyl]ethanamine is CCNC(c1cc2ccccc2o1)c1scc(C)c1Cl.
What is the InChIKey of N-[1-benzofuran-2-yl-(3-chloro-4-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is LYJKTMAVINIQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNOS/c1-3-18-15(16-14(17)10(2)9-20-16)13-8-11-6-4-5-7-12(11)19-13/h4-9,15,18H,3H2,1-2H3.
What are the key properties of N-[1-benzofuran-2-yl-(3-chloro-4-methylthiophen-2-yl)methyl]ethanamine?
N-[1-benzofuran-2-yl-(3-chloro-4-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 305.83 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzofuran-2-yl-(3-chloro-4-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 103407408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).