3-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)-N-methylpropan-1-amine

C14H15BrClNS — CID 79442587

IUPAC3-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1sccc1Br)c1cccc(Cl)c1
InChIInChI=1S/C14H15BrClNS/c1-17-9-11(8-14-13(15)5-6-18-14)10-3-2-4-12(16)7-10/h2-7,11,17H,8-9H2,1H3
InChIKeyHPOOWPVKZWUHFI-UHFFFAOYSA-N
MW344.71 g/mol
LogP4.71
Rot. Bonds5

About 3-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)-N-methylpropan-1-amine

3-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)-N-methylpropan-1-amine (PubChem CID 79442587) has the molecular formula C14H15BrClNS and a molecular weight of 344.71 g/mol. Its IUPAC name is 3-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)-N-methylpropan-1-amine
PubChem CID79442587
Molecular FormulaC14H15BrClNS
Molecular Weight344.71 g/mol
Exact Mass342.98
IUPAC Name3-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1sccc1Br)c1cccc(Cl)c1
InChIInChI=1S/C14H15BrClNS/c1-17-9-11(8-14-13(15)5-6-18-14)10-3-2-4-12(16)7-10/h2-7,11,17H,8-9H2,1H3
InChIKeyHPOOWPVKZWUHFI-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.71
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)-N-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)-N-ethylpropan-1-amine
CID 79443317
3-bromo-2-[3-bromo-2-(3-chlorophenyl)propyl]thiophene
CID 79432265
3-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)propanoic acid
CID 79440338
N-[3-(3-bromothiophen-2-yl)-2-(4-chlorophenyl)propyl]-2-methylpropan-1-amine
CID 79432398
3-(3-bromothiophen-2-yl)-2-phenyl-N-propylpropan-1-amine
CID 65431914
3-(3-bromothiophen-2-yl)-2-(3-methylphenyl)propan-1-amine
CID 79416744
2-[(3-bromothiophen-2-yl)methyl]-3-(4-chlorophenyl)-N-methylpropan-1-amine
CID 63521712
2-(3-chlorophenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 79442808
3-(2-bromophenyl)-2-(3-chlorophenyl)-N-propylpropan-1-amine
CID 79433426
1-(3-bromothiophen-2-yl)-3-(3-chlorophenyl)-N-ethylpropan-2-amine
CID 63412081
2-(3-chlorophenyl)-3-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79443251
2-(3-chlorophenyl)-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 79442661

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)-N-methylpropan-1-amine?
The IUPAC name of 3-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)-N-methylpropan-1-amine (CID 79442587) is 3-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)-N-methylpropan-1-amine is CNCC(Cc1sccc1Br)c1cccc(Cl)c1.
What is the InChIKey of 3-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)-N-methylpropan-1-amine?
The InChIKey is HPOOWPVKZWUHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNS/c1-17-9-11(8-14-13(15)5-6-18-14)10-3-2-4-12(16)7-10/h2-7,11,17H,8-9H2,1H3.
What are the key properties of 3-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)-N-methylpropan-1-amine?
3-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)-N-methylpropan-1-amine has a molecular weight of 344.71 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 79442587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).