1-(2-bromophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-1-ol

C15H18BrNOS — CID 62622929

IUPAC1-(2-bromophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-1-ol
SMILESCN(CCC(O)c1ccccc1Br)Cc1ccsc1
InChIInChI=1S/C15H18BrNOS/c1-17(10-12-7-9-19-11-12)8-6-15(18)13-4-2-3-5-14(13)16/h2-5,7,9,11,15,18H,6,8,10H2,1H3
InChIKeyIWLNKKLKGKCXAH-UHFFFAOYSA-N
MW340.29 g/mol
LogP4.07
Rot. Bonds6

About 1-(2-bromophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-1-ol

1-(2-bromophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-1-ol (PubChem CID 62622929) has the molecular formula C15H18BrNOS and a molecular weight of 340.29 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-1-ol
PubChem CID62622929
Molecular FormulaC15H18BrNOS
Molecular Weight340.29 g/mol
Exact Mass339.03
IUPAC Name1-(2-bromophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-1-ol
SMILESCN(CCC(O)c1ccccc1Br)Cc1ccsc1
InChIInChI=1S/C15H18BrNOS/c1-17(10-12-7-9-19-11-12)8-6-15(18)13-4-2-3-5-14(13)16/h2-5,7,9,11,15,18H,6,8,10H2,1H3
InChIKeyIWLNKKLKGKCXAH-UHFFFAOYSA-N
XLogP4.07
TPSA23.47 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 ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl(thiophen-3-ylmethyl)amino]butan-2-ol
CID 115883116
1-(2-bromophenyl)-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol
CID 62624752
4,4-dimethyl-1-[methyl(thiophen-3-ylmethyl)amino]pentan-3-ol
CID 62624282
1-(2-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone
CID 62052197
5-[[3-(2-bromophenyl)-3-hydroxypropyl]-methylamino]pentan-1-ol
CID 107204738
1-N-methyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 60840868
1-(2-bromophenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-ol
CID 62625441
N-ethyl-N'-methyl-1-phenyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62612447
3-bromo-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 61286719
1-(4-fluorophenyl)-N,N'-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62643783
N'-methyl-1-phenyl-N-propyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62612607
[1-(2-bromophenyl)-3-thiophen-3-ylpropyl]hydrazine
CID 105208687

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-1-ol?
The IUPAC name of 1-(2-bromophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-1-ol (CID 62622929) is 1-(2-bromophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-1-ol.
What is the SMILES notation for 1-(2-bromophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-1-ol?
The canonical SMILES for 1-(2-bromophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-1-ol is CN(CCC(O)c1ccccc1Br)Cc1ccsc1.
What is the InChIKey of 1-(2-bromophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-1-ol?
The InChIKey is IWLNKKLKGKCXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNOS/c1-17(10-12-7-9-19-11-12)8-6-15(18)13-4-2-3-5-14(13)16/h2-5,7,9,11,15,18H,6,8,10H2,1H3.
What are the key properties of 1-(2-bromophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-1-ol?
1-(2-bromophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-1-ol has a molecular weight of 340.29 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-1-ol is sourced from PubChem (CID 62622929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).