1-(3-chlorophenoxy)-N-propyl-3-thiophen-2-ylpropan-2-amine

C16H20ClNOS — CID 105134206

IUPAC1-(3-chlorophenoxy)-N-propyl-3-thiophen-2-ylpropan-2-amine
SMILESCCCNC(COc1cccc(Cl)c1)Cc1cccs1
InChIInChI=1S/C16H20ClNOS/c1-2-8-18-14(11-16-7-4-9-20-16)12-19-15-6-3-5-13(17)10-15/h3-7,9-10,14,18H,2,8,11-12H2,1H3
InChIKeyPKZZXQKOUDNVEM-UHFFFAOYSA-N
MW309.86 g/mol
LogP4.39
Rot. Bonds8

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

1-(3-chlorophenoxy)-N-propyl-3-thiophen-2-ylpropan-2-amine (PubChem CID 105134206) has the molecular formula C16H20ClNOS and a molecular weight of 309.86 g/mol. Its IUPAC name is 1-(3-chlorophenoxy)-N-propyl-3-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenoxy)-N-propyl-3-thiophen-2-ylpropan-2-amine
PubChem CID105134206
Molecular FormulaC16H20ClNOS
Molecular Weight309.86 g/mol
Exact Mass309.10
IUPAC Name1-(3-chlorophenoxy)-N-propyl-3-thiophen-2-ylpropan-2-amine
SMILESCCCNC(COc1cccc(Cl)c1)Cc1cccs1
InChIInChI=1S/C16H20ClNOS/c1-2-8-18-14(11-16-7-4-9-20-16)12-19-15-6-3-5-13(17)10-15/h3-7,9-10,14,18H,2,8,11-12H2,1H3
InChIKeyPKZZXQKOUDNVEM-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.86
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-chlorophenoxy)-N-propyl-3-thiophen-2-ylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chlorophenoxy)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 105177967
1-(3-chlorophenoxy)-N-methyl-4-thiophen-2-ylbutan-2-amine
CID 105150152
1-(3-chlorophenoxy)-N-propyl-4-thiophen-3-ylbutan-2-amine
CID 105147847
1-(4-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 62502526
N-[2-(3-chlorophenoxy)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 107361780
1-(3-chlorophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol
CID 60633223
1-(3-chlorophenoxy)-3-ethyl-N-propylpentan-2-amine
CID 105168543
1-(4-methoxyphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 62602722
N-[2-(3-chlorophenoxy)-1-cyclopentylethyl]propan-1-amine
CID 105080955
1-(3-chlorophenoxy)-N-ethyl-3-(4-fluorophenyl)propan-2-amine
CID 105086778
N-[1-[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 63500315
1-(3-chlorophenoxy)-N-ethylnonan-2-amine
CID 105124587

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenoxy)-N-propyl-3-thiophen-2-ylpropan-2-amine?
The IUPAC name of 1-(3-chlorophenoxy)-N-propyl-3-thiophen-2-ylpropan-2-amine (CID 105134206) is 1-(3-chlorophenoxy)-N-propyl-3-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for 1-(3-chlorophenoxy)-N-propyl-3-thiophen-2-ylpropan-2-amine?
The canonical SMILES for 1-(3-chlorophenoxy)-N-propyl-3-thiophen-2-ylpropan-2-amine is CCCNC(COc1cccc(Cl)c1)Cc1cccs1.
What is the InChIKey of 1-(3-chlorophenoxy)-N-propyl-3-thiophen-2-ylpropan-2-amine?
The InChIKey is PKZZXQKOUDNVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNOS/c1-2-8-18-14(11-16-7-4-9-20-16)12-19-15-6-3-5-13(17)10-15/h3-7,9-10,14,18H,2,8,11-12H2,1H3.
What are the key properties of 1-(3-chlorophenoxy)-N-propyl-3-thiophen-2-ylpropan-2-amine?
1-(3-chlorophenoxy)-N-propyl-3-thiophen-2-ylpropan-2-amine has a molecular weight of 309.86 g/mol, XLogP of 4.39, 8 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-3-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 105134206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).