1-[3-bromo-2-[(5-ethylthiophen-2-yl)methoxy]phenyl]propan-2-amine

C16H20BrNOS — CID 61392036

IUPAC1-[3-bromo-2-[(5-ethylthiophen-2-yl)methoxy]phenyl]propan-2-amine
SMILESCCc1ccc(COc2c(Br)cccc2CC(C)N)s1
InChIInChI=1S/C16H20BrNOS/c1-3-13-7-8-14(20-13)10-19-16-12(9-11(2)18)5-4-6-15(16)17/h4-8,11H,3,9-10,18H2,1-2H3
InChIKeyVALYMMXITRJGIZ-UHFFFAOYSA-N
MW354.31 g/mol
LogP4.54
Rot. Bonds6

About 1-[3-bromo-2-[(5-ethylthiophen-2-yl)methoxy]phenyl]propan-2-amine

1-[3-bromo-2-[(5-ethylthiophen-2-yl)methoxy]phenyl]propan-2-amine (PubChem CID 61392036) has the molecular formula C16H20BrNOS and a molecular weight of 354.31 g/mol. Its IUPAC name is 1-[3-bromo-2-[(5-ethylthiophen-2-yl)methoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-bromo-2-[(5-ethylthiophen-2-yl)methoxy]phenyl]propan-2-amine
PubChem CID61392036
Molecular FormulaC16H20BrNOS
Molecular Weight354.31 g/mol
Exact Mass353.04
IUPAC Name1-[3-bromo-2-[(5-ethylthiophen-2-yl)methoxy]phenyl]propan-2-amine
SMILESCCc1ccc(COc2c(Br)cccc2CC(C)N)s1
InChIInChI=1S/C16H20BrNOS/c1-3-13-7-8-14(20-13)10-19-16-12(9-11(2)18)5-4-6-15(16)17/h4-8,11H,3,9-10,18H2,1-2H3
InChIKeyVALYMMXITRJGIZ-UHFFFAOYSA-N
XLogP4.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.31
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-bromo-2-[(5-ethylthiophen-2-yl)methoxy]phenyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[(5-ethylthiophen-2-yl)methoxy]-3,5-dimethylphenyl]propan-2-amine
CID 63421033
1-[3-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine
CID 115982350
1-[3-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]butan-2-amine
CID 63020144
1-(3-bromo-2-octoxyphenyl)propan-2-amine
CID 63421974
1-[3-bromo-2-(2-butoxyethoxy)phenyl]propan-2-amine
CID 61483612
2-[2-(2-aminopropyl)-6-bromophenoxy]acetonitrile
CID 61392513
2-bromo-5-[[2-bromo-6-(bromomethyl)phenoxy]methyl]thiophene
CID 55224001
1-[3-bromo-2-(oxolan-3-ylmethoxy)phenyl]propan-2-amine
CID 54977250
1-[2-[(4-bromothiophen-2-yl)methoxy]-3-methylphenyl]propan-2-amine
CID 112615348
2-bromo-5-[[2-bromo-6-(chloromethyl)phenoxy]methyl]thiophene
CID 63534198
1-[3-bromo-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 61496044
1-[3-bromo-2-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]propan-2-amine
CID 116617144

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-2-[(5-ethylthiophen-2-yl)methoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[3-bromo-2-[(5-ethylthiophen-2-yl)methoxy]phenyl]propan-2-amine (CID 61392036) is 1-[3-bromo-2-[(5-ethylthiophen-2-yl)methoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-bromo-2-[(5-ethylthiophen-2-yl)methoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[3-bromo-2-[(5-ethylthiophen-2-yl)methoxy]phenyl]propan-2-amine is CCc1ccc(COc2c(Br)cccc2CC(C)N)s1.
What is the InChIKey of 1-[3-bromo-2-[(5-ethylthiophen-2-yl)methoxy]phenyl]propan-2-amine?
The InChIKey is VALYMMXITRJGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNOS/c1-3-13-7-8-14(20-13)10-19-16-12(9-11(2)18)5-4-6-15(16)17/h4-8,11H,3,9-10,18H2,1-2H3.
What are the key properties of 1-[3-bromo-2-[(5-ethylthiophen-2-yl)methoxy]phenyl]propan-2-amine?
1-[3-bromo-2-[(5-ethylthiophen-2-yl)methoxy]phenyl]propan-2-amine has a molecular weight of 354.31 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-2-[(5-ethylthiophen-2-yl)methoxy]phenyl]propan-2-amine is sourced from PubChem (CID 61392036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).