1-(5-chlorothiophen-2-yl)-N-ethyl-3-(3-methylphenyl)propan-2-amine

C16H20ClNS — CID 62604502

IUPAC1-(5-chlorothiophen-2-yl)-N-ethyl-3-(3-methylphenyl)propan-2-amine
SMILESCCNC(Cc1cccc(C)c1)Cc1ccc(Cl)s1
InChIInChI=1S/C16H20ClNS/c1-3-18-14(11-15-7-8-16(17)19-15)10-13-6-4-5-12(2)9-13/h4-9,14,18H,3,10-11H2,1-2H3
InChIKeyIDBCWJGSMTZYAD-UHFFFAOYSA-N
MW293.86 g/mol
LogP4.47
Rot. Bonds6

About 1-(5-chlorothiophen-2-yl)-N-ethyl-3-(3-methylphenyl)propan-2-amine

1-(5-chlorothiophen-2-yl)-N-ethyl-3-(3-methylphenyl)propan-2-amine (PubChem CID 62604502) has the molecular formula C16H20ClNS and a molecular weight of 293.86 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-ethyl-3-(3-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-ethyl-3-(3-methylphenyl)propan-2-amine
PubChem CID62604502
Molecular FormulaC16H20ClNS
Molecular Weight293.86 g/mol
Exact Mass293.10
IUPAC Name1-(5-chlorothiophen-2-yl)-N-ethyl-3-(3-methylphenyl)propan-2-amine
SMILESCCNC(Cc1cccc(C)c1)Cc1ccc(Cl)s1
InChIInChI=1S/C16H20ClNS/c1-3-18-14(11-15-7-8-16(17)19-15)10-13-6-4-5-12(2)9-13/h4-9,14,18H,3,10-11H2,1-2H3
InChIKeyIDBCWJGSMTZYAD-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.86
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N-ethyl-3-(3-methylphenyl)propan-2-amine
CID 60819352
1-(5-chlorothiophen-2-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine
CID 62603564
1-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)-N-propylpropan-2-amine
CID 63416020
1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)-N-ethylpropan-2-amine
CID 55187580
N-ethyl-1-(furan-2-yl)-3-(3-methylphenyl)propan-2-amine
CID 83175711
1-(5-chlorothiophen-2-yl)-N-ethyl-4-methylpentan-2-amine
CID 62600562
1-(5-chlorothiophen-2-yl)-N-ethyl-3-ethylsulfanylpropan-2-amine
CID 65128398
1-(5-chlorothiophen-2-yl)-N-ethyl-3-propan-2-yloxypropan-2-amine
CID 105135378
N-ethyl-1-(3-methylphenyl)-4-methylsulfanylbutan-2-amine
CID 105091227
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(3-methylphenyl)butan-2-amine
CID 106042005
2-(5-chlorothiophen-2-yl)-N-methyl-1-(3-methylphenyl)ethanamine
CID 55095022
1-(2-chlorophenyl)sulfanyl-3-(5-chlorothiophen-2-yl)-N-ethylpropan-2-amine
CID 66139408

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-ethyl-3-(3-methylphenyl)propan-2-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-ethyl-3-(3-methylphenyl)propan-2-amine (CID 62604502) is 1-(5-chlorothiophen-2-yl)-N-ethyl-3-(3-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-ethyl-3-(3-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-ethyl-3-(3-methylphenyl)propan-2-amine is CCNC(Cc1cccc(C)c1)Cc1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-ethyl-3-(3-methylphenyl)propan-2-amine?
The InChIKey is IDBCWJGSMTZYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNS/c1-3-18-14(11-15-7-8-16(17)19-15)10-13-6-4-5-12(2)9-13/h4-9,14,18H,3,10-11H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-ethyl-3-(3-methylphenyl)propan-2-amine?
1-(5-chlorothiophen-2-yl)-N-ethyl-3-(3-methylphenyl)propan-2-amine has a molecular weight of 293.86 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-ethyl-3-(3-methylphenyl)propan-2-amine is sourced from PubChem (CID 62604502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).