1-(4-bromophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol

C16H20BrNOS — CID 79486833

IUPAC1-(4-bromophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
SMILESCN(CCc1cccs1)CCC(O)c1ccc(Br)cc1
InChIInChI=1S/C16H20BrNOS/c1-18(10-8-15-3-2-12-20-15)11-9-16(19)13-4-6-14(17)7-5-13/h2-7,12,16,19H,8-11H2,1H3
InChIKeyJHCXJKYBNCIAPX-UHFFFAOYSA-N
MW354.31 g/mol
LogP4.11
Rot. Bonds7

About 1-(4-bromophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol

1-(4-bromophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol (PubChem CID 79486833) has the molecular formula C16H20BrNOS and a molecular weight of 354.31 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
PubChem CID79486833
Molecular FormulaC16H20BrNOS
Molecular Weight354.31 g/mol
Exact Mass353.04
IUPAC Name1-(4-bromophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
SMILESCN(CCc1cccs1)CCC(O)c1ccc(Br)cc1
InChIInChI=1S/C16H20BrNOS/c1-18(10-8-15-3-2-12-20-15)11-9-16(19)13-4-6-14(17)7-5-13/h2-7,12,16,19H,8-11H2,1H3
InChIKeyJHCXJKYBNCIAPX-UHFFFAOYSA-N
XLogP4.11
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.31
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
CID 79486454
1-(4-bromo-2-chlorophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
CID 82776938
1-(2-fluorophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
CID 79486832
(2S)-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 94254566
4-[4-[methyl(2-thiophen-2-ylethyl)amino]butan-2-yl]aniline
CID 104501740
2-[4-bromo-3-(4-bromophenyl)butyl]thiophene
CID 79434883
5-chloro-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pentan-1-amine
CID 79485974
1-(4-bromophenyl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-1-ol
CID 63836338
2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 80668223
1-chloro-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 112561777
1-(4-bromophenyl)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol
CID 63211396
N-ethyl-N'-methyl-1-phenyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine
CID 79490107

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol?
The IUPAC name of 1-(4-bromophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol (CID 79486833) is 1-(4-bromophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol.
What is the SMILES notation for 1-(4-bromophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol?
The canonical SMILES for 1-(4-bromophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol is CN(CCc1cccs1)CCC(O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol?
The InChIKey is JHCXJKYBNCIAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNOS/c1-18(10-8-15-3-2-12-20-15)11-9-16(19)13-4-6-14(17)7-5-13/h2-7,12,16,19H,8-11H2,1H3.
What are the key properties of 1-(4-bromophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol?
1-(4-bromophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol has a molecular weight of 354.31 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol is sourced from PubChem (CID 79486833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).