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

C16H20ClNS — CID 62502526

IUPAC1-(4-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
SMILESCCCNC(Cc1ccc(Cl)cc1)Cc1cccs1
InChIInChI=1S/C16H20ClNS/c1-2-9-18-15(12-16-4-3-10-19-16)11-13-5-7-14(17)8-6-13/h3-8,10,15,18H,2,9,11-12H2,1H3
InChIKeyDGHDOKSFIYZJKK-UHFFFAOYSA-N
MW293.86 g/mol
LogP4.55
Rot. Bonds7

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

1-(4-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine (PubChem CID 62502526) has the molecular formula C16H20ClNS and a molecular weight of 293.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
PubChem CID62502526
Molecular FormulaC16H20ClNS
Molecular Weight293.86 g/mol
Exact Mass293.10
IUPAC Name1-(4-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
SMILESCCCNC(Cc1ccc(Cl)cc1)Cc1cccs1
InChIInChI=1S/C16H20ClNS/c1-2-9-18-15(12-16-4-3-10-19-16)11-13-5-7-14(17)8-6-13/h3-8,10,15,18H,2,9,11-12H2,1H3
InChIKeyDGHDOKSFIYZJKK-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.86
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 62602722
1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)-N-propylpropan-2-amine
CID 63412914
1-(4-chlorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine
CID 63774235
1-(3-chlorophenoxy)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 105134206
N-propyl-1-pyridin-4-yl-4-thiophen-2-ylbutan-2-amine
CID 63775624
1-(4-methoxyphenyl)-N-propyl-4-thiophen-2-ylbutan-2-amine
CID 63775376
4-(4-methoxyphenyl)-N-propyl-1-thiophen-2-ylbutan-2-amine
CID 61064106
1-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)propan-2-amine
CID 43677636
N-propyl-1-thiophen-2-ylpropan-2-amine
CID 43692824
N-ethyl-1-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 62604911
1-(2-methoxyphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 62501184
N-propyl-1-thiophen-2-ylhept-5-yn-2-amine
CID 104805257

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine (CID 62502526) is 1-(4-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine is CCCNC(Cc1ccc(Cl)cc1)Cc1cccs1.
What is the InChIKey of 1-(4-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine?
The InChIKey is DGHDOKSFIYZJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNS/c1-2-9-18-15(12-16-4-3-10-19-16)11-13-5-7-14(17)8-6-13/h3-8,10,15,18H,2,9,11-12H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine?
1-(4-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine has a molecular weight of 293.86 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 62502526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).