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

C15H17BrClNS — CID 63502688

IUPACN-[2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Br)c1)c1ccc(Cl)s1
InChIInChI=1S/C15H17BrClNS/c1-2-8-18-13(14-6-7-15(17)19-14)10-11-4-3-5-12(16)9-11/h3-7,9,13,18H,2,8,10H2,1H3
InChIKeyXVIRPPHMEAJRBB-UHFFFAOYSA-N
MW358.73 g/mol
LogP5.45
Rot. Bonds6

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

N-[2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)ethyl]propan-1-amine (PubChem CID 63502688) has the molecular formula C15H17BrClNS and a molecular weight of 358.73 g/mol. Its IUPAC name is N-[2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
PubChem CID63502688
Molecular FormulaC15H17BrClNS
Molecular Weight358.73 g/mol
Exact Mass357.00
IUPAC NameN-[2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Br)c1)c1ccc(Cl)s1
InChIInChI=1S/C15H17BrClNS/c1-2-8-18-13(14-6-7-15(17)19-14)10-11-4-3-5-12(16)9-11/h3-7,9,13,18H,2,8,10H2,1H3
InChIKeyXVIRPPHMEAJRBB-UHFFFAOYSA-N
XLogP5.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.73
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-bromo-5-chlorothiophen-2-yl)-2-(3-bromophenyl)ethyl]propan-1-amine
CID 102828771
N-[2-(3-bromophenyl)-1-(4,5-dibromothiophen-2-yl)ethyl]propan-1-amine
CID 80534054
N-[2-(3-bromophenyl)-1-(4-bromophenyl)ethyl]propan-1-amine
CID 60817937
N-[1-(4-bromo-3-chlorophenyl)-2-(3-bromophenyl)ethyl]propan-1-amine
CID 81291663
1-(5-chlorothiophen-2-yl)-3-(3-methylphenyl)-N-propylpropan-1-amine
CID 105173533
N-[2-(3-bromophenyl)-1-thiophen-3-ylethyl]propan-1-amine
CID 60820051
N-[2-(3-bromophenyl)-1-(3-chloro-4-fluorophenyl)ethyl]propan-1-amine
CID 63418360
N-[2-(3-bromophenyl)-1-(2-iodophenyl)ethyl]propan-1-amine
CID 63528987
N-[2-(3-bromophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 105089526
2-(3-bromophenyl)-N-ethyl-1-thiophen-2-ylethanamine
CID 60818969
1-[5-(3-bromophenyl)thiophen-2-yl]-N-propylpropan-1-amine
CID 43288036
1-(3-bromophenyl)-3-methoxy-N-propylpentan-2-amine
CID 116715984

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)ethyl]propan-1-amine (CID 63502688) is N-[2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)ethyl]propan-1-amine is CCCNC(Cc1cccc(Br)c1)c1ccc(Cl)s1.
What is the InChIKey of N-[2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)ethyl]propan-1-amine?
The InChIKey is XVIRPPHMEAJRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClNS/c1-2-8-18-13(14-6-7-15(17)19-14)10-11-4-3-5-12(16)9-11/h3-7,9,13,18H,2,8,10H2,1H3.
What are the key properties of N-[2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)ethyl]propan-1-amine?
N-[2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)ethyl]propan-1-amine has a molecular weight of 358.73 g/mol, XLogP of 5.45, 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-(5-chlorothiophen-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 63502688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).