1-[5-(4-bromo-2-chlorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine

C15H17BrClNS — CID 43288275

IUPAC1-[5-(4-bromo-2-chlorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1ccc(-c2ccc(Br)cc2Cl)s1
InChIInChI=1S/C15H17BrClNS/c1-3-13(18-4-2)15-8-7-14(19-15)11-6-5-10(16)9-12(11)17/h5-9,13,18H,3-4H2,1-2H3
InChIKeyVDCXJKGNFFJDJR-UHFFFAOYSA-N
MW358.73 g/mol
LogP5.89
Rot. Bonds5

About 1-[5-(4-bromo-2-chlorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine

1-[5-(4-bromo-2-chlorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine (PubChem CID 43288275) has the molecular formula C15H17BrClNS and a molecular weight of 358.73 g/mol. Its IUPAC name is 1-[5-(4-bromo-2-chlorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(4-bromo-2-chlorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine
PubChem CID43288275
Molecular FormulaC15H17BrClNS
Molecular Weight358.73 g/mol
Exact Mass357.00
IUPAC Name1-[5-(4-bromo-2-chlorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1ccc(-c2ccc(Br)cc2Cl)s1
InChIInChI=1S/C15H17BrClNS/c1-3-13(18-4-2)15-8-7-14(19-15)11-6-5-10(16)9-12(11)17/h5-9,13,18H,3-4H2,1-2H3
InChIKeyVDCXJKGNFFJDJR-UHFFFAOYSA-N
XLogP5.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.73
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(4-bromo-2-chlorophenyl)thiophen-2-yl]-N-ethylethanamine
CID 43288278
1-[5-(3,5-dichloro-4-fluorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine
CID 107577037
1-(4-bromo-2-chlorophenyl)-N-ethylpropan-1-amine
CID 114979228
1-[5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine
CID 63400821
1-[5-(2,5-difluoro-4-methylphenyl)thiophen-2-yl]-N-ethylpropan-1-amine
CID 103586914
1-[5-(4-bromo-2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
CID 55124542
N-[[5-(4-bromo-2-methylphenyl)thiophen-2-yl]-cyclopropylmethyl]ethanamine
CID 81287372
N-ethyl-1-(5-phenylthiophen-2-yl)propan-1-amine
CID 43288007
1-[5-(4-bromo-2,3-dichlorophenyl)thiophen-2-yl]-N-methylpropan-1-amine
CID 107792497
1-(4-bromo-2-chlorophenyl)-N-ethylbutan-1-amine
CID 114981819
1-[5-(3-bromophenyl)thiophen-2-yl]-N-propylpropan-1-amine
CID 43288036
1-[5-(3-chloro-2-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine
CID 43287799

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-bromo-2-chlorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine?
The IUPAC name of 1-[5-(4-bromo-2-chlorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine (CID 43288275) is 1-[5-(4-bromo-2-chlorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine.
What is the SMILES notation for 1-[5-(4-bromo-2-chlorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine?
The canonical SMILES for 1-[5-(4-bromo-2-chlorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine is CCNC(CC)c1ccc(-c2ccc(Br)cc2Cl)s1.
What is the InChIKey of 1-[5-(4-bromo-2-chlorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine?
The InChIKey is VDCXJKGNFFJDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClNS/c1-3-13(18-4-2)15-8-7-14(19-15)11-6-5-10(16)9-12(11)17/h5-9,13,18H,3-4H2,1-2H3.
What are the key properties of 1-[5-(4-bromo-2-chlorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine?
1-[5-(4-bromo-2-chlorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine has a molecular weight of 358.73 g/mol, XLogP of 5.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-bromo-2-chlorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine is sourced from PubChem (CID 43288275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).