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

C15H18BrNOS — CID 55083986

IUPAC2-[(4-bromothiophen-2-yl)methyl]-3-(3-methoxyphenyl)propan-1-amine
SMILESCOc1cccc(CC(CN)Cc2cc(Br)cs2)c1
InChIInChI=1S/C15H18BrNOS/c1-18-14-4-2-3-11(6-14)5-12(9-17)7-15-8-13(16)10-19-15/h2-4,6,8,10,12H,5,7,9,17H2,1H3
InChIKeyOEWUOFQWJGVJCR-UHFFFAOYSA-N
MW340.29 g/mol
LogP3.88
Rot. Bonds6

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

2-[(4-bromothiophen-2-yl)methyl]-3-(3-methoxyphenyl)propan-1-amine (PubChem CID 55083986) has the molecular formula C15H18BrNOS and a molecular weight of 340.29 g/mol. Its IUPAC name is 2-[(4-bromothiophen-2-yl)methyl]-3-(3-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-[(4-bromothiophen-2-yl)methyl]-3-(3-methoxyphenyl)propan-1-amine
PubChem CID55083986
Molecular FormulaC15H18BrNOS
Molecular Weight340.29 g/mol
Exact Mass339.03
IUPAC Name2-[(4-bromothiophen-2-yl)methyl]-3-(3-methoxyphenyl)propan-1-amine
SMILESCOc1cccc(CC(CN)Cc2cc(Br)cs2)c1
InChIInChI=1S/C15H18BrNOS/c1-18-14-4-2-3-11(6-14)5-12(9-17)7-15-8-13(16)10-19-15/h2-4,6,8,10,12H,5,7,9,17H2,1H3
InChIKeyOEWUOFQWJGVJCR-UHFFFAOYSA-N
XLogP3.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromothiophen-2-yl)-3-(3-methoxyphenyl)propan-2-amine
CID 62602168
2-[(5-bromo-2-pyridinyl)methyl]-3-(3-methoxyphenyl)propan-1-amine
CID 104810378
2-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)propan-1-amine
CID 62503999
2-[(3-methoxyphenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 62529007
1-(4-bromothiophen-2-yl)-3-(3-methoxyphenyl)propan-2-one
CID 62622471
2-[(4-bromothiophen-2-yl)methyl]butan-1-amine
CID 62503815
4-ethoxy-2-[(3-methoxyphenyl)methyl]butan-1-amine
CID 62529202
2-[(3-methoxyphenyl)methyl]-4-methylsulfonylbutan-1-amine
CID 62529808
1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-amine
CID 61263481
2-[(4-bromothiophen-2-yl)methyl]-3-(2-chlorophenyl)propan-1-amine
CID 62529611
2-[(3-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107052825
2-[(3-methoxyphenyl)methyl]-3-thiophen-3-ylpropan-1-ol
CID 66060150

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromothiophen-2-yl)methyl]-3-(3-methoxyphenyl)propan-1-amine?
The IUPAC name of 2-[(4-bromothiophen-2-yl)methyl]-3-(3-methoxyphenyl)propan-1-amine (CID 55083986) is 2-[(4-bromothiophen-2-yl)methyl]-3-(3-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-[(4-bromothiophen-2-yl)methyl]-3-(3-methoxyphenyl)propan-1-amine?
The canonical SMILES for 2-[(4-bromothiophen-2-yl)methyl]-3-(3-methoxyphenyl)propan-1-amine is COc1cccc(CC(CN)Cc2cc(Br)cs2)c1.
What is the InChIKey of 2-[(4-bromothiophen-2-yl)methyl]-3-(3-methoxyphenyl)propan-1-amine?
The InChIKey is OEWUOFQWJGVJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNOS/c1-18-14-4-2-3-11(6-14)5-12(9-17)7-15-8-13(16)10-19-15/h2-4,6,8,10,12H,5,7,9,17H2,1H3.
What are the key properties of 2-[(4-bromothiophen-2-yl)methyl]-3-(3-methoxyphenyl)propan-1-amine?
2-[(4-bromothiophen-2-yl)methyl]-3-(3-methoxyphenyl)propan-1-amine has a molecular weight of 340.29 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromothiophen-2-yl)methyl]-3-(3-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 55083986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).