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

C15H17BrClNS — CID 105181697

IUPAC1-(4-bromo-2-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine
SMILESCCNC(Cc1ccsc1)Cc1ccc(Br)cc1Cl
InChIInChI=1S/C15H17BrClNS/c1-2-18-14(7-11-5-6-19-10-11)8-12-3-4-13(16)9-15(12)17/h3-6,9-10,14,18H,2,7-8H2,1H3
InChIKeyDNSJPMYVFHJFCC-UHFFFAOYSA-N
MW358.73 g/mol
LogP4.93
Rot. Bonds6

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

1-(4-bromo-2-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine (PubChem CID 105181697) has the molecular formula C15H17BrClNS and a molecular weight of 358.73 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine
PubChem CID105181697
Molecular FormulaC15H17BrClNS
Molecular Weight358.73 g/mol
Exact Mass357.00
IUPAC Name1-(4-bromo-2-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine
SMILESCCNC(Cc1ccsc1)Cc1ccc(Br)cc1Cl
InChIInChI=1S/C15H17BrClNS/c1-2-18-14(7-11-5-6-19-10-11)8-12-3-4-13(16)9-15(12)17/h3-6,9-10,14,18H,2,7-8H2,1H3
InChIKeyDNSJPMYVFHJFCC-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.73
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-fluorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine
CID 105136708
1-(3-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine
CID 55095489
1-(4-bromo-2-chlorophenyl)-N-ethyl-4-methoxypentan-2-amine
CID 113471311
1-(4-bromo-2-chlorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine
CID 103029350
1-(2-chloro-4-methylphenyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine
CID 106867468
1-(5-bromo-2-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 115857164
N-ethyl-1-(3-fluorophenyl)-3-thiophen-3-ylpropan-2-amine
CID 62602151
1-(6-bromonaphthalen-2-yl)-N-ethyl-2-thiophen-3-ylethanamine
CID 115354103
N-ethyl-1-methoxy-3-thiophen-3-ylpropan-2-amine
CID 62604477
3-[(4-bromo-2-chlorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine
CID 113471085
N-ethyl-1-(1-methylpyrazol-4-yl)-3-thiophen-3-ylpropan-2-amine
CID 105113824
[2-(4-bromo-2-chlorophenyl)-1-thiophen-3-ylethyl]hydrazine
CID 105196835

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine (CID 105181697) is 1-(4-bromo-2-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine is CCNC(Cc1ccsc1)Cc1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine?
The InChIKey is DNSJPMYVFHJFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClNS/c1-2-18-14(7-11-5-6-19-10-11)8-12-3-4-13(16)9-15(12)17/h3-6,9-10,14,18H,2,7-8H2,1H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine?
1-(4-bromo-2-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine has a molecular weight of 358.73 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 105181697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).