(1R)-1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]phenyl]propan-1-ol

C15H18BrNOS — CID 103959914

IUPAC(1R)-1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1N(C)Cc1csc(Br)c1
InChIInChI=1S/C15H18BrNOS/c1-3-14(18)12-6-4-5-7-13(12)17(2)9-11-8-15(16)19-10-11/h4-8,10,14,18H,3,9H2,1-2H3/t14-/m1/s1
InChIKeyFMMLQLYFFNFTNI-CQSZACIVSA-N
MW340.29 g/mol
LogP4.59
Rot. Bonds5

About (1R)-1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]phenyl]propan-1-ol

(1R)-1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]phenyl]propan-1-ol (PubChem CID 103959914) has the molecular formula C15H18BrNOS and a molecular weight of 340.29 g/mol. Its IUPAC name is (1R)-1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]phenyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]phenyl]propan-1-ol
PubChem CID103959914
Molecular FormulaC15H18BrNOS
Molecular Weight340.29 g/mol
Exact Mass339.03
IUPAC Name(1R)-1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1N(C)Cc1csc(Br)c1
InChIInChI=1S/C15H18BrNOS/c1-3-14(18)12-6-4-5-7-13(12)17(2)9-11-8-15(16)19-10-11/h4-8,10,14,18H,3,9H2,1-2H3/t14-/m1/s1
InChIKeyFMMLQLYFFNFTNI-CQSZACIVSA-N
XLogP4.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-[1-(methylamino)propyl]aniline
CID 115995013
[2-[(5-bromothiophen-3-yl)methyl-methylamino]phenyl]methanol
CID 54982683
(1S)-1-[2-[methyl-[(3-methylphenyl)methyl]amino]phenyl]propan-1-ol
CID 103959815
(1R)-1-[2-[methyl-[(3-methylphenyl)methyl]amino]phenyl]propan-1-ol
CID 103959816
N-[(5-bromothiophen-3-yl)methyl]-2-(chloromethyl)-N-methylaniline
CID 63541636
(1R)-1-[2-[methyl(pyridin-4-ylmethyl)amino]phenyl]propan-1-ol
CID 103959768
(1R)-1-[2-[(4-fluorophenyl)methyl-methylamino]phenyl]propan-1-ol
CID 103959822
1-[3-bromo-4-[(5-bromothiophen-3-yl)methyl-methylamino]phenyl]ethanol
CID 55130341
2-bromo-6-[(5-bromothiophen-3-yl)methyl-methylamino]benzenecarbothioamide
CID 114882178
(1S)-1-[2-[(3-methoxyphenyl)methyl-methylamino]phenyl]propan-1-ol
CID 103959837
2-(2-aminobutyl)-N-[(5-bromothiophen-3-yl)methyl]-3-chloro-N-methylaniline
CID 63816363
(1R)-1-[4-[(5-bromothiophen-3-yl)methyl-methylamino]-3-chlorophenyl]ethanol
CID 63371224

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]phenyl]propan-1-ol?
The IUPAC name of (1R)-1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]phenyl]propan-1-ol (CID 103959914) is (1R)-1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]phenyl]propan-1-ol.
What is the SMILES notation for (1R)-1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]phenyl]propan-1-ol?
The canonical SMILES for (1R)-1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]phenyl]propan-1-ol is CC[C@@H](O)c1ccccc1N(C)Cc1csc(Br)c1.
What is the InChIKey of (1R)-1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]phenyl]propan-1-ol?
The InChIKey is FMMLQLYFFNFTNI-CQSZACIVSA-N. The full InChI is InChI=1S/C15H18BrNOS/c1-3-14(18)12-6-4-5-7-13(12)17(2)9-11-8-15(16)19-10-11/h4-8,10,14,18H,3,9H2,1-2H3/t14-/m1/s1.
What are the key properties of (1R)-1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]phenyl]propan-1-ol?
(1R)-1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]phenyl]propan-1-ol has a molecular weight of 340.29 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]phenyl]propan-1-ol is sourced from PubChem (CID 103959914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).