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

C14H16BrNOS — CID 62602168

IUPAC1-(4-bromothiophen-2-yl)-3-(3-methoxyphenyl)propan-2-amine
SMILESCOc1cccc(CC(N)Cc2cc(Br)cs2)c1
InChIInChI=1S/C14H16BrNOS/c1-17-13-4-2-3-10(6-13)5-12(16)8-14-7-11(15)9-18-14/h2-4,6-7,9,12H,5,8,16H2,1H3
InChIKeyQXSMRPSFIKKCAB-UHFFFAOYSA-N
MW326.26 g/mol
LogP3.63
Rot. Bonds5

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

1-(4-bromothiophen-2-yl)-3-(3-methoxyphenyl)propan-2-amine (PubChem CID 62602168) has the molecular formula C14H16BrNOS and a molecular weight of 326.26 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-3-(3-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-3-(3-methoxyphenyl)propan-2-amine
PubChem CID62602168
Molecular FormulaC14H16BrNOS
Molecular Weight326.26 g/mol
Exact Mass325.01
IUPAC Name1-(4-bromothiophen-2-yl)-3-(3-methoxyphenyl)propan-2-amine
SMILESCOc1cccc(CC(N)Cc2cc(Br)cs2)c1
InChIInChI=1S/C14H16BrNOS/c1-17-13-4-2-3-10(6-13)5-12(16)8-14-7-11(15)9-18-14/h2-4,6-7,9,12H,5,8,16H2,1H3
InChIKeyQXSMRPSFIKKCAB-UHFFFAOYSA-N
XLogP3.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromothiophen-2-yl)methyl]-3-(3-methoxyphenyl)propan-1-amine
CID 55083986
1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-amine
CID 61263481
1-(3-bromo-5-fluorophenyl)-3-(3-methoxyphenyl)propan-2-amine
CID 79709615
1-(4-bromothiophen-2-yl)-4-(4-methoxyphenyl)butan-2-amine
CID 115847825
1-(2-bromo-5-fluorophenyl)-3-(3-methoxyphenyl)propan-2-amine
CID 62601198
(2S)-2-amino-3-(3-methoxyphenyl)propan-1-ol
CID 28804581
1-(4-bromothiophen-2-yl)-3-(3-methoxyphenyl)propan-2-one
CID 62622471
(2S)-1-(3-methoxyphenyl)pentan-2-amine
CID 89063549
2-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)ethanamine
CID 115847619
1-chloro-2-(3-methoxyphenyl)ethanamine
CID 67681258
1-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105133732
1-(3-methoxyphenyl)dodecan-2-amine
CID 63417344

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-3-(3-methoxyphenyl)propan-2-amine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-3-(3-methoxyphenyl)propan-2-amine (CID 62602168) is 1-(4-bromothiophen-2-yl)-3-(3-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-3-(3-methoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-3-(3-methoxyphenyl)propan-2-amine is COc1cccc(CC(N)Cc2cc(Br)cs2)c1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-3-(3-methoxyphenyl)propan-2-amine?
The InChIKey is QXSMRPSFIKKCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNOS/c1-17-13-4-2-3-10(6-13)5-12(16)8-14-7-11(15)9-18-14/h2-4,6-7,9,12H,5,8,16H2,1H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-3-(3-methoxyphenyl)propan-2-amine?
1-(4-bromothiophen-2-yl)-3-(3-methoxyphenyl)propan-2-amine has a molecular weight of 326.26 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-3-(3-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 62602168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).