1-(3-chloro-4-methylthiophen-2-yl)-2-(3-methylphenyl)ethanamine

C14H16ClNS — CID 103402392

IUPAC1-(3-chloro-4-methylthiophen-2-yl)-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(CC(N)c2scc(C)c2Cl)c1
InChIInChI=1S/C14H16ClNS/c1-9-4-3-5-11(6-9)7-12(16)14-13(15)10(2)8-17-14/h3-6,8,12H,7,16H2,1-2H3
InChIKeyKXKVRHZCSBHKFG-UHFFFAOYSA-N
MW265.81 g/mol
LogP4.26
Rot. Bonds3

About 1-(3-chloro-4-methylthiophen-2-yl)-2-(3-methylphenyl)ethanamine

1-(3-chloro-4-methylthiophen-2-yl)-2-(3-methylphenyl)ethanamine (PubChem CID 103402392) has the molecular formula C14H16ClNS and a molecular weight of 265.81 g/mol. Its IUPAC name is 1-(3-chloro-4-methylthiophen-2-yl)-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-methylthiophen-2-yl)-2-(3-methylphenyl)ethanamine
PubChem CID103402392
Molecular FormulaC14H16ClNS
Molecular Weight265.81 g/mol
Exact Mass265.07
IUPAC Name1-(3-chloro-4-methylthiophen-2-yl)-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(CC(N)c2scc(C)c2Cl)c1
InChIInChI=1S/C14H16ClNS/c1-9-4-3-5-11(6-9)7-12(16)14-13(15)10(2)8-17-14/h3-6,8,12H,7,16H2,1-2H3
InChIKeyKXKVRHZCSBHKFG-UHFFFAOYSA-N
XLogP4.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.81
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-methylthiophen-2-yl)-2-naphthalen-2-ylethanamine
CID 103402254
2-(2-chloro-4-methylphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanamine
CID 106867685
1-(3-bromothiophen-2-yl)-2-(3-methylphenyl)ethanamine
CID 63798481
2-(3-methylphenyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 62388506
2-[1-bromo-2-(3-chlorophenyl)ethyl]-3-chloro-4-methylthiophene
CID 103405768
1-(5-bromothiophen-3-yl)-2-(3-methylphenyl)ethanamine
CID 105091201
2-[2-(3-bromophenyl)-1-chloroethyl]-3-chloro-4-methylthiophene
CID 103405712
2-(4-bromo-2-chlorophenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanamine
CID 103407295
1-(2,4-dichlorophenyl)-2-(3-methylphenyl)ethanamine
CID 62387674
2-(5-bromo-2-fluorophenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanamine
CID 103405565
1-(2-chloro-4,5-difluorophenyl)-2-(3-methylphenyl)ethanamine
CID 107475984
1-(1-benzothiophen-3-yl)-3-(3-methylphenyl)propan-2-amine
CID 63737079

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-2-(3-methylphenyl)ethanamine?
The IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-2-(3-methylphenyl)ethanamine (CID 103402392) is 1-(3-chloro-4-methylthiophen-2-yl)-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for 1-(3-chloro-4-methylthiophen-2-yl)-2-(3-methylphenyl)ethanamine?
The canonical SMILES for 1-(3-chloro-4-methylthiophen-2-yl)-2-(3-methylphenyl)ethanamine is Cc1cccc(CC(N)c2scc(C)c2Cl)c1.
What is the InChIKey of 1-(3-chloro-4-methylthiophen-2-yl)-2-(3-methylphenyl)ethanamine?
The InChIKey is KXKVRHZCSBHKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNS/c1-9-4-3-5-11(6-9)7-12(16)14-13(15)10(2)8-17-14/h3-6,8,12H,7,16H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methylthiophen-2-yl)-2-(3-methylphenyl)ethanamine?
1-(3-chloro-4-methylthiophen-2-yl)-2-(3-methylphenyl)ethanamine has a molecular weight of 265.81 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylthiophen-2-yl)-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 103402392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).