1-(2-bromophenyl)-N-[2-(oxan-2-yl)ethyl]ethanamine

C15H22BrNO — CID 103983659

IUPAC1-(2-bromophenyl)-N-[2-(oxan-2-yl)ethyl]ethanamine
SMILESCC(NCCC1CCCCO1)c1ccccc1Br
InChIInChI=1S/C15H22BrNO/c1-12(14-7-2-3-8-15(14)16)17-10-9-13-6-4-5-11-18-13/h2-3,7-8,12-13,17H,4-6,9-11H2,1H3
InChIKeyZNXSKTRCRHCLOX-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.06
Rot. Bonds5

About 1-(2-bromophenyl)-N-[2-(oxan-2-yl)ethyl]ethanamine

1-(2-bromophenyl)-N-[2-(oxan-2-yl)ethyl]ethanamine (PubChem CID 103983659) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-[2-(oxan-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-[2-(oxan-2-yl)ethyl]ethanamine
PubChem CID103983659
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name1-(2-bromophenyl)-N-[2-(oxan-2-yl)ethyl]ethanamine
SMILESCC(NCCC1CCCCO1)c1ccccc1Br
InChIInChI=1S/C15H22BrNO/c1-12(14-7-2-3-8-15(14)16)17-10-9-13-6-4-5-11-18-13/h2-3,7-8,12-13,17H,4-6,9-11H2,1H3
InChIKeyZNXSKTRCRHCLOX-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 43179194
(1R)-1-(2-bromophenyl)-N-(2-cyclohexylethyl)ethanamine
CID 81378704
(1S)-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine
CID 65163698
N-[(1S)-1-(2-methylphenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 81374337
1-(2,5-dimethylphenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 54917016
1-(5-methylfuran-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine
CID 113364696
1-(4-bromothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine
CID 107167829
1-(2-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 54940082
N-[2-(oxolan-2-yl)ethyl]-1-pyridin-2-ylethanamine
CID 61039958
1-(1-benzothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine
CID 104579371
(1R)-1-(2-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 81378620
(1S)-N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylethanamine
CID 81409134

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-[2-(oxan-2-yl)ethyl]ethanamine?
The IUPAC name of 1-(2-bromophenyl)-N-[2-(oxan-2-yl)ethyl]ethanamine (CID 103983659) is 1-(2-bromophenyl)-N-[2-(oxan-2-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2-bromophenyl)-N-[2-(oxan-2-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2-bromophenyl)-N-[2-(oxan-2-yl)ethyl]ethanamine is CC(NCCC1CCCCO1)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-N-[2-(oxan-2-yl)ethyl]ethanamine?
The InChIKey is ZNXSKTRCRHCLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-12(14-7-2-3-8-15(14)16)17-10-9-13-6-4-5-11-18-13/h2-3,7-8,12-13,17H,4-6,9-11H2,1H3.
What are the key properties of 1-(2-bromophenyl)-N-[2-(oxan-2-yl)ethyl]ethanamine?
1-(2-bromophenyl)-N-[2-(oxan-2-yl)ethyl]ethanamine has a molecular weight of 312.25 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-[2-(oxan-2-yl)ethyl]ethanamine is sourced from PubChem (CID 103983659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).