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

C14H15Cl2NS — CID 103400778

IUPACN-[(3-chloro-4-methylthiophen-2-yl)-(4-chlorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)cc1)c1scc(C)c1Cl
InChIInChI=1S/C14H15Cl2NS/c1-3-17-13(10-4-6-11(15)7-5-10)14-12(16)9(2)8-18-14/h4-8,13,17H,3H2,1-2H3
InChIKeyMXFVDMDVCRNJTB-UHFFFAOYSA-N
MW300.25 g/mol
LogP5.06
Rot. Bonds4

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

N-[(3-chloro-4-methylthiophen-2-yl)-(4-chlorophenyl)methyl]ethanamine (PubChem CID 103400778) has the molecular formula C14H15Cl2NS and a molecular weight of 300.25 g/mol. Its IUPAC name is N-[(3-chloro-4-methylthiophen-2-yl)-(4-chlorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-4-methylthiophen-2-yl)-(4-chlorophenyl)methyl]ethanamine
PubChem CID103400778
Molecular FormulaC14H15Cl2NS
Molecular Weight300.25 g/mol
Exact Mass299.03
IUPAC NameN-[(3-chloro-4-methylthiophen-2-yl)-(4-chlorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)cc1)c1scc(C)c1Cl
InChIInChI=1S/C14H15Cl2NS/c1-3-17-13(10-4-6-11(15)7-5-10)14-12(16)9(2)8-18-14/h4-8,13,17H,3H2,1-2H3
InChIKeyMXFVDMDVCRNJTB-UHFFFAOYSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.25
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-4-methylthiophen-2-yl)-(4-propylphenyl)methyl]ethanamine
CID 103400826
N-[(3-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 103405840
N-[(3-chloro-4-methylthiophen-2-yl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 103405896
5-[(3-chloro-4-methylthiophen-2-yl)-(ethylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 103400805
N-[(3-chloro-4-methylthiophen-2-yl)-(4-ethoxyphenyl)methyl]propan-1-amine
CID 103400889
N-[(3-chloro-4-methylthiophen-2-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 103406913
6-[(3-chloro-4-methylthiophen-2-yl)-(ethylamino)methyl]-3H-1,3-benzoxazol-2-one
CID 103400841
N-[(3-chlorothiophen-2-yl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 80529223
N-[(4-chlorophenyl)-(2-methylphenyl)methyl]ethanamine
CID 43489020
N-[(4-bromo-2,5-dimethylphenyl)-(3-chloro-4-methylthiophen-2-yl)methyl]ethanamine
CID 103401157
N-[(3-chloro-4-methylthiophen-2-yl)-(2,5-dibromo-4-methylphenyl)methyl]ethanamine
CID 103401324
N-[1-benzofuran-2-yl-(3-chloro-4-methylthiophen-2-yl)methyl]ethanamine
CID 103407408

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylthiophen-2-yl)-(4-chlorophenyl)methyl]ethanamine?
The IUPAC name of N-[(3-chloro-4-methylthiophen-2-yl)-(4-chlorophenyl)methyl]ethanamine (CID 103400778) is N-[(3-chloro-4-methylthiophen-2-yl)-(4-chlorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chloro-4-methylthiophen-2-yl)-(4-chlorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-chloro-4-methylthiophen-2-yl)-(4-chlorophenyl)methyl]ethanamine is CCNC(c1ccc(Cl)cc1)c1scc(C)c1Cl.
What is the InChIKey of N-[(3-chloro-4-methylthiophen-2-yl)-(4-chlorophenyl)methyl]ethanamine?
The InChIKey is MXFVDMDVCRNJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NS/c1-3-17-13(10-4-6-11(15)7-5-10)14-12(16)9(2)8-18-14/h4-8,13,17H,3H2,1-2H3.
What are the key properties of N-[(3-chloro-4-methylthiophen-2-yl)-(4-chlorophenyl)methyl]ethanamine?
N-[(3-chloro-4-methylthiophen-2-yl)-(4-chlorophenyl)methyl]ethanamine has a molecular weight of 300.25 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methylthiophen-2-yl)-(4-chlorophenyl)methyl]ethanamine is sourced from PubChem (CID 103400778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).