2-[(4-bromothiophen-2-yl)methyl]-3-(2-chlorophenyl)propan-1-amine

C14H15BrClNS — CID 62529611

IUPAC2-[(4-bromothiophen-2-yl)methyl]-3-(2-chlorophenyl)propan-1-amine
SMILESNCC(Cc1cc(Br)cs1)Cc1ccccc1Cl
InChIInChI=1S/C14H15BrClNS/c15-12-7-13(18-9-12)6-10(8-17)5-11-3-1-2-4-14(11)16/h1-4,7,9-10H,5-6,8,17H2
InChIKeyHWWPDSVKPUHZIH-UHFFFAOYSA-N
MW344.70 g/mol
LogP4.52
Rot. Bonds5

About 2-[(4-bromothiophen-2-yl)methyl]-3-(2-chlorophenyl)propan-1-amine

2-[(4-bromothiophen-2-yl)methyl]-3-(2-chlorophenyl)propan-1-amine (PubChem CID 62529611) has the molecular formula C14H15BrClNS and a molecular weight of 344.70 g/mol. Its IUPAC name is 2-[(4-bromothiophen-2-yl)methyl]-3-(2-chlorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-[(4-bromothiophen-2-yl)methyl]-3-(2-chlorophenyl)propan-1-amine
PubChem CID62529611
Molecular FormulaC14H15BrClNS
Molecular Weight344.70 g/mol
Exact Mass342.98
IUPAC Name2-[(4-bromothiophen-2-yl)methyl]-3-(2-chlorophenyl)propan-1-amine
SMILESNCC(Cc1cc(Br)cs1)Cc1ccccc1Cl
InChIInChI=1S/C14H15BrClNS/c15-12-7-13(18-9-12)6-10(8-17)5-11-3-1-2-4-14(11)16/h1-4,7,9-10H,5-6,8,17H2
InChIKeyHWWPDSVKPUHZIH-UHFFFAOYSA-N
XLogP4.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.70
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chlorophenyl)methyl]-3-thiophen-2-ylpropan-1-amine
CID 62528407
2-benzyl-3-(2-chlorophenyl)propan-1-amine
CID 62504845
2-[(4-bromothiophen-2-yl)methyl]butan-1-amine
CID 62503815
2-[(2-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309628
2-[(2-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)propan-1-ol
CID 66037859
2-[(2-chlorophenyl)methyl]-4-thiophen-2-ylbutan-1-amine
CID 63774826
2-[(4-bromothiophen-2-yl)methyl]-3-(3-methoxyphenyl)propan-1-amine
CID 55083986
2-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)propan-1-amine
CID 63496346
2-[(3-bromophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309624
2-[(4-bromothiophen-2-yl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine
CID 62515968
1-(4-bromothiophen-2-yl)-3-(2-chloro-6-fluorophenyl)propan-2-amine
CID 55145225
2-[(2-chlorophenyl)methyl]-6-methylheptan-1-amine
CID 83169265

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromothiophen-2-yl)methyl]-3-(2-chlorophenyl)propan-1-amine?
The IUPAC name of 2-[(4-bromothiophen-2-yl)methyl]-3-(2-chlorophenyl)propan-1-amine (CID 62529611) is 2-[(4-bromothiophen-2-yl)methyl]-3-(2-chlorophenyl)propan-1-amine.
What is the SMILES notation for 2-[(4-bromothiophen-2-yl)methyl]-3-(2-chlorophenyl)propan-1-amine?
The canonical SMILES for 2-[(4-bromothiophen-2-yl)methyl]-3-(2-chlorophenyl)propan-1-amine is NCC(Cc1cc(Br)cs1)Cc1ccccc1Cl.
What is the InChIKey of 2-[(4-bromothiophen-2-yl)methyl]-3-(2-chlorophenyl)propan-1-amine?
The InChIKey is HWWPDSVKPUHZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNS/c15-12-7-13(18-9-12)6-10(8-17)5-11-3-1-2-4-14(11)16/h1-4,7,9-10H,5-6,8,17H2.
What are the key properties of 2-[(4-bromothiophen-2-yl)methyl]-3-(2-chlorophenyl)propan-1-amine?
2-[(4-bromothiophen-2-yl)methyl]-3-(2-chlorophenyl)propan-1-amine has a molecular weight of 344.70 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromothiophen-2-yl)methyl]-3-(2-chlorophenyl)propan-1-amine is sourced from PubChem (CID 62529611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).