1-(4-bromothiophen-2-yl)-N-(oxan-2-ylmethyl)ethanamine

C12H18BrNOS — CID 107167331

IUPAC1-(4-bromothiophen-2-yl)-N-(oxan-2-ylmethyl)ethanamine
SMILESCC(NCC1CCCCO1)c1cc(Br)cs1
InChIInChI=1S/C12H18BrNOS/c1-9(12-6-10(13)8-16-12)14-7-11-4-2-3-5-15-11/h6,8-9,11,14H,2-5,7H2,1H3
InChIKeyUNKYOVSOWWBVFC-UHFFFAOYSA-N
MW304.25 g/mol
LogP3.73
Rot. Bonds4

About 1-(4-bromothiophen-2-yl)-N-(oxan-2-ylmethyl)ethanamine

1-(4-bromothiophen-2-yl)-N-(oxan-2-ylmethyl)ethanamine (PubChem CID 107167331) has the molecular formula C12H18BrNOS and a molecular weight of 304.25 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-N-(oxan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-N-(oxan-2-ylmethyl)ethanamine
PubChem CID107167331
Molecular FormulaC12H18BrNOS
Molecular Weight304.25 g/mol
Exact Mass303.03
IUPAC Name1-(4-bromothiophen-2-yl)-N-(oxan-2-ylmethyl)ethanamine
SMILESCC(NCC1CCCCO1)c1cc(Br)cs1
InChIInChI=1S/C12H18BrNOS/c1-9(12-6-10(13)8-16-12)14-7-11-4-2-3-5-15-11/h6,8-9,11,14H,2-5,7H2,1H3
InChIKeyUNKYOVSOWWBVFC-UHFFFAOYSA-N
XLogP3.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromothiophen-2-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 107167128
1-(4-bromothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine
CID 107167829
1-(4-bromothiophen-2-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 107167237
2-(4-bromothiophen-2-yl)-2-(oxolan-2-ylmethylamino)ethanol
CID 61347967
2-(4-bromothiophen-2-yl)-2-(oxolan-2-ylmethylamino)acetonitrile
CID 61346986
(1S)-N-(oxan-2-ylmethyl)-1-thiophen-2-ylethanamine
CID 81409334
1-(3-bromophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 54949073
(1R)-N-(oxolan-2-ylmethyl)-1-thiophen-2-ylethanamine
CID 81408382
1-(4-iodophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 55014093
1-(2-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 54940082
1-(furan-2-yl)-N-(oxan-2-ylmethyl)ethanamine
CID 43403758
1-(4-bromothiophen-2-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
CID 107354247

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-N-(oxan-2-ylmethyl)ethanamine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-N-(oxan-2-ylmethyl)ethanamine (CID 107167331) is 1-(4-bromothiophen-2-yl)-N-(oxan-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-N-(oxan-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-N-(oxan-2-ylmethyl)ethanamine is CC(NCC1CCCCO1)c1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-N-(oxan-2-ylmethyl)ethanamine?
The InChIKey is UNKYOVSOWWBVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNOS/c1-9(12-6-10(13)8-16-12)14-7-11-4-2-3-5-15-11/h6,8-9,11,14H,2-5,7H2,1H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-N-(oxan-2-ylmethyl)ethanamine?
1-(4-bromothiophen-2-yl)-N-(oxan-2-ylmethyl)ethanamine has a molecular weight of 304.25 g/mol, XLogP of 3.73, 4 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)-N-(oxan-2-ylmethyl)ethanamine is sourced from PubChem (CID 107167331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).