1-(2-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]propan-2-amine

C15H17Cl2NS — CID 43677459

IUPAC1-(2-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]propan-2-amine
SMILESCC(Cc1ccccc1Cl)NC(C)c1ccc(Cl)s1
InChIInChI=1S/C15H17Cl2NS/c1-10(9-12-5-3-4-6-13(12)16)18-11(2)14-7-8-15(17)19-14/h3-8,10-11,18H,9H2,1-2H3
InChIKeyVOSDZQWROLUCRE-UHFFFAOYSA-N
MW314.28 g/mol
LogP5.34
Rot. Bonds5

About 1-(2-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]propan-2-amine

1-(2-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]propan-2-amine (PubChem CID 43677459) has the molecular formula C15H17Cl2NS and a molecular weight of 314.28 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]propan-2-amine
PubChem CID43677459
Molecular FormulaC15H17Cl2NS
Molecular Weight314.28 g/mol
Exact Mass313.05
IUPAC Name1-(2-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]propan-2-amine
SMILESCC(Cc1ccccc1Cl)NC(C)c1ccc(Cl)s1
InChIInChI=1S/C15H17Cl2NS/c1-10(9-12-5-3-4-6-13(12)16)18-11(2)14-7-8-15(17)19-14/h3-8,10-11,18H,9H2,1-2H3
InChIKeyVOSDZQWROLUCRE-UHFFFAOYSA-N
XLogP5.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.28
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43692517
N-[1-(5-chlorothiophen-2-yl)ethyl]pentan-2-amine
CID 43438933
1-(2-chlorophenyl)-N-(1-thiophen-3-ylethyl)propan-2-amine
CID 62089455
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-methoxypropan-2-amine
CID 43438937
1-(5-chlorothiophen-2-yl)-N-[(2,3-dichlorophenyl)methyl]ethanamine
CID 43432651
N-[1-(2-chlorophenyl)propan-2-yl]-1,1-difluoropropan-2-amine
CID 102868324
1-(2-chlorophenyl)-N-[1-(3-fluorophenyl)ethyl]propan-2-amine
CID 43677542
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 43685388
1-(2-methoxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]propan-2-amine
CID 60936055
1-(2-chlorophenyl)-N-ethylpropan-2-amine
CID 43677539
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylpentan-3-amine
CID 43782969
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 43692550

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]propan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]propan-2-amine (CID 43677459) is 1-(2-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]propan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]propan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]propan-2-amine is CC(Cc1ccccc1Cl)NC(C)c1ccc(Cl)s1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]propan-2-amine?
The InChIKey is VOSDZQWROLUCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NS/c1-10(9-12-5-3-4-6-13(12)16)18-11(2)14-7-8-15(17)19-14/h3-8,10-11,18H,9H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]propan-2-amine?
1-(2-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]propan-2-amine has a molecular weight of 314.28 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]propan-2-amine is sourced from PubChem (CID 43677459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).