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

C14H15BrClNS — CID 107993221

IUPAC1-(2-bromo-4-chlorophenyl)-N-methyl-3-thiophen-3-ylpropan-1-amine
SMILESCNC(CCc1ccsc1)c1ccc(Cl)cc1Br
InChIInChI=1S/C14H15BrClNS/c1-17-14(5-2-10-6-7-18-9-10)12-4-3-11(16)8-13(12)15/h3-4,6-9,14,17H,2,5H2,1H3
InChIKeyBPZWZRURVPVWGP-UHFFFAOYSA-N
MW344.71 g/mol
LogP5.06
Rot. Bonds5

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

1-(2-bromo-4-chlorophenyl)-N-methyl-3-thiophen-3-ylpropan-1-amine (PubChem CID 107993221) has the molecular formula C14H15BrClNS and a molecular weight of 344.71 g/mol. Its IUPAC name is 1-(2-bromo-4-chlorophenyl)-N-methyl-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2-bromo-4-chlorophenyl)-N-methyl-3-thiophen-3-ylpropan-1-amine
PubChem CID107993221
Molecular FormulaC14H15BrClNS
Molecular Weight344.71 g/mol
Exact Mass342.98
IUPAC Name1-(2-bromo-4-chlorophenyl)-N-methyl-3-thiophen-3-ylpropan-1-amine
SMILESCNC(CCc1ccsc1)c1ccc(Cl)cc1Br
InChIInChI=1S/C14H15BrClNS/c1-17-14(5-2-10-6-7-18-9-10)12-4-3-11(16)8-13(12)15/h3-4,6-9,14,17H,2,5H2,1H3
InChIKeyBPZWZRURVPVWGP-UHFFFAOYSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.71
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-3,5-dimethylphenyl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 114330528
1-(2-bromo-5-chlorophenyl)-3-thiophen-3-ylpropan-1-amine
CID 114027060
[1-(2,5-dichlorophenyl)-3-thiophen-3-ylpropyl]hydrazine
CID 105306748
1-(3,5-dibromo-2-pyridinyl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 113398628
1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 105147937
1-(2,5-dichlorophenyl)-3-thiophen-3-ylpropan-1-amine
CID 115857028
1-(7-bromo-1-benzofuran-2-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 105147976
[1-(2-bromophenyl)-3-thiophen-3-ylpropyl]hydrazine
CID 105208687
1-(5-bromo-2-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 115857164
1-(5-bromo-2-fluorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 114894917
1-(2-bromo-4-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 107988881
1-(2-bromo-4-chlorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 107988832

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chlorophenyl)-N-methyl-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of 1-(2-bromo-4-chlorophenyl)-N-methyl-3-thiophen-3-ylpropan-1-amine (CID 107993221) is 1-(2-bromo-4-chlorophenyl)-N-methyl-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for 1-(2-bromo-4-chlorophenyl)-N-methyl-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for 1-(2-bromo-4-chlorophenyl)-N-methyl-3-thiophen-3-ylpropan-1-amine is CNC(CCc1ccsc1)c1ccc(Cl)cc1Br.
What is the InChIKey of 1-(2-bromo-4-chlorophenyl)-N-methyl-3-thiophen-3-ylpropan-1-amine?
The InChIKey is BPZWZRURVPVWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNS/c1-17-14(5-2-10-6-7-18-9-10)12-4-3-11(16)8-13(12)15/h3-4,6-9,14,17H,2,5H2,1H3.
What are the key properties of 1-(2-bromo-4-chlorophenyl)-N-methyl-3-thiophen-3-ylpropan-1-amine?
1-(2-bromo-4-chlorophenyl)-N-methyl-3-thiophen-3-ylpropan-1-amine has a molecular weight of 344.71 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-chlorophenyl)-N-methyl-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 107993221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).