1-(3-chloro-4-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine

C17H22ClNS — CID 115860699

IUPAC1-(3-chloro-4-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
SMILESCCCNC(CCc1cccs1)c1ccc(C)c(Cl)c1
InChIInChI=1S/C17H22ClNS/c1-3-10-19-17(9-8-15-5-4-11-20-15)14-7-6-13(2)16(18)12-14/h4-7,11-12,17,19H,3,8-10H2,1-2H3
InChIKeyJMHZSFAKENKBSJ-UHFFFAOYSA-N
MW307.89 g/mol
LogP5.38
Rot. Bonds7

About 1-(3-chloro-4-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine

1-(3-chloro-4-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine (PubChem CID 115860699) has the molecular formula C17H22ClNS and a molecular weight of 307.89 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
PubChem CID115860699
Molecular FormulaC17H22ClNS
Molecular Weight307.89 g/mol
Exact Mass307.12
IUPAC Name1-(3-chloro-4-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
SMILESCCCNC(CCc1cccs1)c1ccc(C)c(Cl)c1
InChIInChI=1S/C17H22ClNS/c1-3-10-19-17(9-8-15-5-4-11-20-15)14-7-6-13(2)16(18)12-14/h4-7,11-12,17,19H,3,8-10H2,1-2H3
InChIKeyJMHZSFAKENKBSJ-UHFFFAOYSA-N
XLogP5.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.89
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-chloro-4-methylphenyl)-3-thiophen-2-ylpropyl]hydrazine
CID 105308904
1-(4-iodophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115861151
1-(3-bromophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 63774616
1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 63195285
1-(2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 63775444
1-(4,5-dimethylthiophen-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115860668
1-(5-bromo-2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115860952
1-(4-chloro-2,5-difluorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115861199
1-(5-bromo-4-methylthiophen-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115860725
1-(3-chlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 63775555
1-(3-chloro-4-methylphenyl)-3-propoxy-N-propylpropan-1-amine
CID 107561908
1-(3,5-dichlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860979

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine (CID 115860699) is 1-(3-chloro-4-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine is CCCNC(CCc1cccs1)c1ccc(C)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine?
The InChIKey is JMHZSFAKENKBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNS/c1-3-10-19-17(9-8-15-5-4-11-20-15)14-7-6-13(2)16(18)12-14/h4-7,11-12,17,19H,3,8-10H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine?
1-(3-chloro-4-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine has a molecular weight of 307.89 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 115860699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).