N-[2-(3-bromophenyl)-1-thiophen-3-ylethyl]propan-1-amine

C15H18BrNS — CID 60820051

IUPACN-[2-(3-bromophenyl)-1-thiophen-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Br)c1)c1ccsc1
InChIInChI=1S/C15H18BrNS/c1-2-7-17-15(13-6-8-18-11-13)10-12-4-3-5-14(16)9-12/h3-6,8-9,11,15,17H,2,7,10H2,1H3
InChIKeyGOUCUDPRAXADLV-UHFFFAOYSA-N
MW324.29 g/mol
LogP4.79
Rot. Bonds6

About N-[2-(3-bromophenyl)-1-thiophen-3-ylethyl]propan-1-amine

N-[2-(3-bromophenyl)-1-thiophen-3-ylethyl]propan-1-amine (PubChem CID 60820051) has the molecular formula C15H18BrNS and a molecular weight of 324.29 g/mol. Its IUPAC name is N-[2-(3-bromophenyl)-1-thiophen-3-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-bromophenyl)-1-thiophen-3-ylethyl]propan-1-amine
PubChem CID60820051
Molecular FormulaC15H18BrNS
Molecular Weight324.29 g/mol
Exact Mass323.03
IUPAC NameN-[2-(3-bromophenyl)-1-thiophen-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Br)c1)c1ccsc1
InChIInChI=1S/C15H18BrNS/c1-2-7-17-15(13-6-8-18-11-13)10-12-4-3-5-14(16)9-12/h3-6,8-9,11,15,17H,2,7,10H2,1H3
InChIKeyGOUCUDPRAXADLV-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-bromophenyl)-1-(4-bromophenyl)ethyl]propan-1-amine
CID 60817937
N-[2-(3,4-dimethylphenyl)-1-thiophen-3-ylethyl]propan-1-amine
CID 63413251
N-[2-(5-bromo-2-fluorophenyl)-1-thiophen-3-ylethyl]propan-1-amine
CID 63412592
N-[1-(4-bromo-3-chlorophenyl)-2-(3-bromophenyl)ethyl]propan-1-amine
CID 81291663
N-[2-(4-iodophenyl)-1-thiophen-3-ylethyl]propan-1-amine
CID 65477900
N-[2-(3-bromophenyl)-1-(4,5-dibromothiophen-2-yl)ethyl]propan-1-amine
CID 80534054
N-[2-(3-bromophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 105089526
N-[2-(3-bromophenyl)-1-(3-chloro-4-fluorophenyl)ethyl]propan-1-amine
CID 63418360
N-[2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethyl]propan-1-amine
CID 62602066
N-[2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 63502688
N-[2-(3-bromophenyl)-1-(2-iodophenyl)ethyl]propan-1-amine
CID 63528987
2-(4-bromophenyl)-N-ethyl-1-thiophen-3-ylethanamine
CID 60818853

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenyl)-1-thiophen-3-ylethyl]propan-1-amine?
The IUPAC name of N-[2-(3-bromophenyl)-1-thiophen-3-ylethyl]propan-1-amine (CID 60820051) is N-[2-(3-bromophenyl)-1-thiophen-3-ylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-bromophenyl)-1-thiophen-3-ylethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-bromophenyl)-1-thiophen-3-ylethyl]propan-1-amine is CCCNC(Cc1cccc(Br)c1)c1ccsc1.
What is the InChIKey of N-[2-(3-bromophenyl)-1-thiophen-3-ylethyl]propan-1-amine?
The InChIKey is GOUCUDPRAXADLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNS/c1-2-7-17-15(13-6-8-18-11-13)10-12-4-3-5-14(16)9-12/h3-6,8-9,11,15,17H,2,7,10H2,1H3.
What are the key properties of N-[2-(3-bromophenyl)-1-thiophen-3-ylethyl]propan-1-amine?
N-[2-(3-bromophenyl)-1-thiophen-3-ylethyl]propan-1-amine has a molecular weight of 324.29 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenyl)-1-thiophen-3-ylethyl]propan-1-amine is sourced from PubChem (CID 60820051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).