1-(3-chlorophenoxy)-N-propyl-4-thiophen-3-ylbutan-2-amine

C17H22ClNOS — CID 105147847

IUPAC1-(3-chlorophenoxy)-N-propyl-4-thiophen-3-ylbutan-2-amine
SMILESCCCNC(CCc1ccsc1)COc1cccc(Cl)c1
InChIInChI=1S/C17H22ClNOS/c1-2-9-19-16(7-6-14-8-10-21-13-14)12-20-17-5-3-4-15(18)11-17/h3-5,8,10-11,13,16,19H,2,6-7,9,12H2,1H3
InChIKeyGBJOQSULPXMTMW-UHFFFAOYSA-N
MW323.89 g/mol
LogP4.78
Rot. Bonds9

About 1-(3-chlorophenoxy)-N-propyl-4-thiophen-3-ylbutan-2-amine

1-(3-chlorophenoxy)-N-propyl-4-thiophen-3-ylbutan-2-amine (PubChem CID 105147847) has the molecular formula C17H22ClNOS and a molecular weight of 323.89 g/mol. Its IUPAC name is 1-(3-chlorophenoxy)-N-propyl-4-thiophen-3-ylbutan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenoxy)-N-propyl-4-thiophen-3-ylbutan-2-amine
PubChem CID105147847
Molecular FormulaC17H22ClNOS
Molecular Weight323.89 g/mol
Exact Mass323.11
IUPAC Name1-(3-chlorophenoxy)-N-propyl-4-thiophen-3-ylbutan-2-amine
SMILESCCCNC(CCc1ccsc1)COc1cccc(Cl)c1
InChIInChI=1S/C17H22ClNOS/c1-2-9-19-16(7-6-14-8-10-21-13-14)12-20-17-5-3-4-15(18)11-17/h3-5,8,10-11,13,16,19H,2,6-7,9,12H2,1H3
InChIKeyGBJOQSULPXMTMW-UHFFFAOYSA-N
XLogP4.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.89
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenoxy)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 105134206
N-propyl-1-thiophen-3-ylheptan-3-amine
CID 79411760
N-[2-(3-chlorophenoxy)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 107361780
1-(3-chlorophenoxy)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 105177967
1-(3-chlorophenoxy)-N-ethylnonan-2-amine
CID 105124587
1-(3-chlorophenyl)sulfanyl-N-propyl-3-thiophen-3-ylpropan-2-amine
CID 66145811
1-(3-chlorophenoxy)-3-ethyl-N-propylpentan-2-amine
CID 105168543
1-methylsulfonyl-N-propyl-4-thiophen-3-ylbutan-2-amine
CID 115623841
1-(3,4-dichlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 81491853
1-(3-chlorophenoxy)-N-ethyl-4-methylsulfonylbutan-2-amine
CID 114984084
1-(3-chlorophenoxy)-N-ethyl-6-methylheptan-2-amine
CID 105176967
1-(3-chlorophenoxy)-N-methyl-4-thiophen-2-ylbutan-2-amine
CID 105150152

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenoxy)-N-propyl-4-thiophen-3-ylbutan-2-amine?
The IUPAC name of 1-(3-chlorophenoxy)-N-propyl-4-thiophen-3-ylbutan-2-amine (CID 105147847) is 1-(3-chlorophenoxy)-N-propyl-4-thiophen-3-ylbutan-2-amine.
What is the SMILES notation for 1-(3-chlorophenoxy)-N-propyl-4-thiophen-3-ylbutan-2-amine?
The canonical SMILES for 1-(3-chlorophenoxy)-N-propyl-4-thiophen-3-ylbutan-2-amine is CCCNC(CCc1ccsc1)COc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenoxy)-N-propyl-4-thiophen-3-ylbutan-2-amine?
The InChIKey is GBJOQSULPXMTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNOS/c1-2-9-19-16(7-6-14-8-10-21-13-14)12-20-17-5-3-4-15(18)11-17/h3-5,8,10-11,13,16,19H,2,6-7,9,12H2,1H3.
What are the key properties of 1-(3-chlorophenoxy)-N-propyl-4-thiophen-3-ylbutan-2-amine?
1-(3-chlorophenoxy)-N-propyl-4-thiophen-3-ylbutan-2-amine has a molecular weight of 323.89 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenoxy)-N-propyl-4-thiophen-3-ylbutan-2-amine is sourced from PubChem (CID 105147847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).