2-[(2-bromophenyl)methyl]-3-(5-chlorothiophen-2-yl)propan-1-amine

C14H15BrClNS — CID 55083481

IUPAC2-[(2-bromophenyl)methyl]-3-(5-chlorothiophen-2-yl)propan-1-amine
SMILESNCC(Cc1ccc(Cl)s1)Cc1ccccc1Br
InChIInChI=1S/C14H15BrClNS/c15-13-4-2-1-3-11(13)7-10(9-17)8-12-5-6-14(16)18-12/h1-6,10H,7-9,17H2
InChIKeyPBUBWQMATYBGGR-UHFFFAOYSA-N
MW344.70 g/mol
LogP4.52
Rot. Bonds5

About 2-[(2-bromophenyl)methyl]-3-(5-chlorothiophen-2-yl)propan-1-amine

2-[(2-bromophenyl)methyl]-3-(5-chlorothiophen-2-yl)propan-1-amine (PubChem CID 55083481) has the molecular formula C14H15BrClNS and a molecular weight of 344.70 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]-3-(5-chlorothiophen-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]-3-(5-chlorothiophen-2-yl)propan-1-amine
PubChem CID55083481
Molecular FormulaC14H15BrClNS
Molecular Weight344.70 g/mol
Exact Mass342.98
IUPAC Name2-[(2-bromophenyl)methyl]-3-(5-chlorothiophen-2-yl)propan-1-amine
SMILESNCC(Cc1ccc(Cl)s1)Cc1ccccc1Br
InChIInChI=1S/C14H15BrClNS/c15-13-4-2-1-3-11(13)7-10(9-17)8-12-5-6-14(16)18-12/h1-6,10H,7-9,17H2
InChIKeyPBUBWQMATYBGGR-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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Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]-3-(5-chlorothiophen-2-yl)propan-1-amine?
The IUPAC name of 2-[(2-bromophenyl)methyl]-3-(5-chlorothiophen-2-yl)propan-1-amine (CID 55083481) is 2-[(2-bromophenyl)methyl]-3-(5-chlorothiophen-2-yl)propan-1-amine.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]-3-(5-chlorothiophen-2-yl)propan-1-amine?
The canonical SMILES for 2-[(2-bromophenyl)methyl]-3-(5-chlorothiophen-2-yl)propan-1-amine is NCC(Cc1ccc(Cl)s1)Cc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methyl]-3-(5-chlorothiophen-2-yl)propan-1-amine?
The InChIKey is PBUBWQMATYBGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNS/c15-13-4-2-1-3-11(13)7-10(9-17)8-12-5-6-14(16)18-12/h1-6,10H,7-9,17H2.
What are the key properties of 2-[(2-bromophenyl)methyl]-3-(5-chlorothiophen-2-yl)propan-1-amine?
2-[(2-bromophenyl)methyl]-3-(5-chlorothiophen-2-yl)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-[(2-bromophenyl)methyl]-3-(5-chlorothiophen-2-yl)propan-1-amine is sourced from PubChem (CID 55083481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).