N-[1-(3-chloro-4-methylthiophen-2-yl)-2-(3,4-dimethylphenyl)ethyl]propan-1-amine

C18H24ClNS — CID 103402410

IUPACN-[1-(3-chloro-4-methylthiophen-2-yl)-2-(3,4-dimethylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(C)c(C)c1)c1scc(C)c1Cl
InChIInChI=1S/C18H24ClNS/c1-5-8-20-16(18-17(19)14(4)11-21-18)10-15-7-6-12(2)13(3)9-15/h6-7,9,11,16,20H,5,8,10H2,1-4H3
InChIKeyOQWNLDIQSFXAMM-UHFFFAOYSA-N
MW321.92 g/mol
LogP5.61
Rot. Bonds6

About N-[1-(3-chloro-4-methylthiophen-2-yl)-2-(3,4-dimethylphenyl)ethyl]propan-1-amine

N-[1-(3-chloro-4-methylthiophen-2-yl)-2-(3,4-dimethylphenyl)ethyl]propan-1-amine (PubChem CID 103402410) has the molecular formula C18H24ClNS and a molecular weight of 321.92 g/mol. Its IUPAC name is N-[1-(3-chloro-4-methylthiophen-2-yl)-2-(3,4-dimethylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-chloro-4-methylthiophen-2-yl)-2-(3,4-dimethylphenyl)ethyl]propan-1-amine
PubChem CID103402410
Molecular FormulaC18H24ClNS
Molecular Weight321.92 g/mol
Exact Mass321.13
IUPAC NameN-[1-(3-chloro-4-methylthiophen-2-yl)-2-(3,4-dimethylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(C)c(C)c1)c1scc(C)c1Cl
InChIInChI=1S/C18H24ClNS/c1-5-8-20-16(18-17(19)14(4)11-21-18)10-15-7-6-12(2)13(3)9-15/h6-7,9,11,16,20H,5,8,10H2,1-4H3
InChIKeyOQWNLDIQSFXAMM-UHFFFAOYSA-N
XLogP5.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.92
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-methylthiophen-2-yl)-4-phenyl-N-propylbutan-1-amine
CID 103405798
N-[1-(3-chloro-4-methylthiophen-2-yl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 103407156
N-[1-(3-chloro-4-methylthiophen-2-yl)-2-ethoxyethyl]propan-1-amine
CID 103406671
1-(3-chloro-4-methylthiophen-2-yl)-N-propylnonan-1-amine
CID 103405538
N-[1-(4-bromothiophen-3-yl)-2-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 79596087
N-[2-(3,4-dimethylphenyl)-1-thiophen-3-ylethyl]propan-1-amine
CID 63413251
N-[2-(3,4-dimethylphenyl)-1-(2-iodophenyl)ethyl]propan-1-amine
CID 63527278
N-[1-(4-bromo-5-chlorothiophen-2-yl)-2-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 102828787
1-(3-chloro-4-methylthiophen-2-yl)-2-(3,4-difluorophenyl)-N-methylethanamine
CID 103402443
N-[2-(3,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)ethyl]propan-1-amine
CID 79808186
1-(3-chloro-4-methylthiophen-2-yl)-4-ethylsulfonyl-N-propylbutan-1-amine
CID 103406216
N-[1-(2-chloro-4,5-dimethylphenyl)-2-phenylethyl]propan-1-amine
CID 115484151

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-4-methylthiophen-2-yl)-2-(3,4-dimethylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-chloro-4-methylthiophen-2-yl)-2-(3,4-dimethylphenyl)ethyl]propan-1-amine (CID 103402410) is N-[1-(3-chloro-4-methylthiophen-2-yl)-2-(3,4-dimethylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-chloro-4-methylthiophen-2-yl)-2-(3,4-dimethylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-chloro-4-methylthiophen-2-yl)-2-(3,4-dimethylphenyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(C)c(C)c1)c1scc(C)c1Cl.
What is the InChIKey of N-[1-(3-chloro-4-methylthiophen-2-yl)-2-(3,4-dimethylphenyl)ethyl]propan-1-amine?
The InChIKey is OQWNLDIQSFXAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNS/c1-5-8-20-16(18-17(19)14(4)11-21-18)10-15-7-6-12(2)13(3)9-15/h6-7,9,11,16,20H,5,8,10H2,1-4H3.
What are the key properties of N-[1-(3-chloro-4-methylthiophen-2-yl)-2-(3,4-dimethylphenyl)ethyl]propan-1-amine?
N-[1-(3-chloro-4-methylthiophen-2-yl)-2-(3,4-dimethylphenyl)ethyl]propan-1-amine has a molecular weight of 321.92 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-4-methylthiophen-2-yl)-2-(3,4-dimethylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 103402410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).