1-(3-chlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine

C15H18ClNS — CID 63775555

IUPAC1-(3-chlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
SMILESCCNC(CCc1cccs1)c1cccc(Cl)c1
InChIInChI=1S/C15H18ClNS/c1-2-17-15(9-8-14-7-4-10-18-14)12-5-3-6-13(16)11-12/h3-7,10-11,15,17H,2,8-9H2,1H3
InChIKeyOAMYJYNXWBOGJW-UHFFFAOYSA-N
MW279.84 g/mol
LogP4.68
Rot. Bonds6

About 1-(3-chlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine

1-(3-chlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine (PubChem CID 63775555) has the molecular formula C15H18ClNS and a molecular weight of 279.84 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
PubChem CID63775555
Molecular FormulaC15H18ClNS
Molecular Weight279.84 g/mol
Exact Mass279.08
IUPAC Name1-(3-chlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
SMILESCCNC(CCc1cccs1)c1cccc(Cl)c1
InChIInChI=1S/C15H18ClNS/c1-2-17-15(9-8-14-7-4-10-18-14)12-5-3-6-13(16)11-12/h3-7,10-11,15,17H,2,8-9H2,1H3
InChIKeyOAMYJYNXWBOGJW-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.84
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dichlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860979
N-ethyl-1-(3-fluorophenyl)-3-thiophen-2-ylpropan-1-amine
CID 63775928
1-(2,4-dichlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860970
N-ethyl-3-thiophen-2-yl-1-thiophen-3-ylpropan-1-amine
CID 63773695
4-(3-chlorophenoxy)-N-ethyl-1-thiophen-2-ylpentan-3-amine
CID 105150171
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860962
1-(3-chlorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 105106501
1-(2,5-dichlorothiophen-3-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 107968303
N-ethyl-1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine
CID 63774226
4-(3-chlorophenyl)-4-(ethylamino)butan-1-ol
CID 69402715
1-(3-bromophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 63774616
N-ethyl-1-(3-fluoro-4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine
CID 115860982

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine (CID 63775555) is 1-(3-chlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine is CCNC(CCc1cccs1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine?
The InChIKey is OAMYJYNXWBOGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNS/c1-2-17-15(9-8-14-7-4-10-18-14)12-5-3-6-13(16)11-12/h3-7,10-11,15,17H,2,8-9H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine?
1-(3-chlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine has a molecular weight of 279.84 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 63775555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).