1-(3-bromothiophen-2-yl)-N-methyl-2-phenylbutan-1-amine

C15H18BrNS — CID 80534954

IUPAC1-(3-bromothiophen-2-yl)-N-methyl-2-phenylbutan-1-amine
SMILESCCC(c1ccccc1)C(NC)c1sccc1Br
InChIInChI=1S/C15H18BrNS/c1-3-12(11-7-5-4-6-8-11)14(17-2)15-13(16)9-10-18-15/h4-10,12,14,17H,3H2,1-2H3
InChIKeyQDHSJOHIHKBZAP-UHFFFAOYSA-N
MW324.29 g/mol
LogP4.96
Rot. Bonds5

About 1-(3-bromothiophen-2-yl)-N-methyl-2-phenylbutan-1-amine

1-(3-bromothiophen-2-yl)-N-methyl-2-phenylbutan-1-amine (PubChem CID 80534954) has the molecular formula C15H18BrNS and a molecular weight of 324.29 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-N-methyl-2-phenylbutan-1-amine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-N-methyl-2-phenylbutan-1-amine
PubChem CID80534954
Molecular FormulaC15H18BrNS
Molecular Weight324.29 g/mol
Exact Mass323.03
IUPAC Name1-(3-bromothiophen-2-yl)-N-methyl-2-phenylbutan-1-amine
SMILESCCC(c1ccccc1)C(NC)c1sccc1Br
InChIInChI=1S/C15H18BrNS/c1-3-12(11-7-5-4-6-8-11)14(17-2)15-13(16)9-10-18-15/h4-10,12,14,17H,3H2,1-2H3
InChIKeyQDHSJOHIHKBZAP-UHFFFAOYSA-N
XLogP4.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromothiophen-2-yl)-N-ethyl-2-phenylbutan-1-amine
CID 80535854
1-(3-bromothiophen-2-yl)-N,3-dimethyl-2-phenylpentan-1-amine
CID 80534878
1-(3-bromothiophen-2-yl)-N-ethyl-2-methoxy-2-phenylethanamine
CID 116773064
1-(3-bromo-2-fluorophenyl)-N-methyl-2-phenylbutan-1-amine
CID 106647998
1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylbutan-1-amine
CID 105054099
1-(4-fluorophenyl)-N-methyl-2-phenylbutan-1-amine
CID 43481338
N-methyl-2-phenyl-1-(2,4,6-trifluorophenyl)butan-1-amine
CID 43483247
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-phenylbutan-1-amine
CID 105042151
1-(3-chlorothiophen-2-yl)-2-phenyl-N-propylbutan-1-amine
CID 80529506
N,N'-dimethyl-1-(3-methylthiophen-2-yl)-2-phenylethane-1,2-diamine
CID 70397425
1-(3-bromothiophen-2-yl)-2-cyclopropyl-N-methylpropan-1-amine
CID 83153918
1-(3-bromothiophen-2-yl)-2-phenylethane-1,2-diol
CID 103459382

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-N-methyl-2-phenylbutan-1-amine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-N-methyl-2-phenylbutan-1-amine (CID 80534954) is 1-(3-bromothiophen-2-yl)-N-methyl-2-phenylbutan-1-amine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-N-methyl-2-phenylbutan-1-amine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-N-methyl-2-phenylbutan-1-amine is CCC(c1ccccc1)C(NC)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-N-methyl-2-phenylbutan-1-amine?
The InChIKey is QDHSJOHIHKBZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNS/c1-3-12(11-7-5-4-6-8-11)14(17-2)15-13(16)9-10-18-15/h4-10,12,14,17H,3H2,1-2H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-N-methyl-2-phenylbutan-1-amine?
1-(3-bromothiophen-2-yl)-N-methyl-2-phenylbutan-1-amine has a molecular weight of 324.29 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-N-methyl-2-phenylbutan-1-amine is sourced from PubChem (CID 80534954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).