1-(2-bromophenyl)-1-(oxan-4-ylmethoxy)propan-2-amine

C15H22BrNO2 — CID 62382399

IUPAC1-(2-bromophenyl)-1-(oxan-4-ylmethoxy)propan-2-amine
SMILESCC(N)C(OCC1CCOCC1)c1ccccc1Br
InChIInChI=1S/C15H22BrNO2/c1-11(17)15(13-4-2-3-5-14(13)16)19-10-12-6-8-18-9-7-12/h2-5,11-12,15H,6-10,17H2,1H3
InChIKeyFWAKBMUZGMECFT-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.28
Rot. Bonds5

About 1-(2-bromophenyl)-1-(oxan-4-ylmethoxy)propan-2-amine

1-(2-bromophenyl)-1-(oxan-4-ylmethoxy)propan-2-amine (PubChem CID 62382399) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 1-(2-bromophenyl)-1-(oxan-4-ylmethoxy)propan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-1-(oxan-4-ylmethoxy)propan-2-amine
PubChem CID62382399
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name1-(2-bromophenyl)-1-(oxan-4-ylmethoxy)propan-2-amine
SMILESCC(N)C(OCC1CCOCC1)c1ccccc1Br
InChIInChI=1S/C15H22BrNO2/c1-11(17)15(13-4-2-3-5-14(13)16)19-10-12-6-8-18-9-7-12/h2-5,11-12,15H,6-10,17H2,1H3
InChIKeyFWAKBMUZGMECFT-UHFFFAOYSA-N
XLogP3.28
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-bromo-1-(2-bromophenyl)ethoxy]methyl]oxane
CID 55066481
1-(2-bromophenyl)-1-(oxolan-3-yloxy)propan-2-amine
CID 55220620
1-(2-bromophenyl)-1-(2-cyclobutylethoxy)propan-2-amine
CID 106200055
1-(3-fluorophenyl)-1-(oxan-4-ylmethoxy)propan-2-amine
CID 55066001
1-(oxan-4-ylmethoxy)-1-thiophen-3-ylpropan-2-amine
CID 62382577
1-(cyclohexylmethoxy)-1-(2-fluorophenyl)propan-2-amine
CID 62383305
1-(2-chlorophenyl)-1-(cyclohexylmethoxy)propan-2-amine
CID 55066579
3-[[1-(2-bromophenyl)-2-iodoethoxy]methyl]oxolane
CID 114773806
3-(oxan-4-ylmethoxy)butan-2-amine
CID 62382238
4-[1-(2-bromophenyl)ethyl]oxane
CID 115050138
(1S)-1-[2-(oxan-4-ylmethoxy)phenyl]propan-1-amine
CID 78932889
1-(2-methylphenyl)-1-(oxolan-3-ylmethoxy)butan-2-amine
CID 55018768

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-1-(oxan-4-ylmethoxy)propan-2-amine?
The IUPAC name of 1-(2-bromophenyl)-1-(oxan-4-ylmethoxy)propan-2-amine (CID 62382399) is 1-(2-bromophenyl)-1-(oxan-4-ylmethoxy)propan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-1-(oxan-4-ylmethoxy)propan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-1-(oxan-4-ylmethoxy)propan-2-amine is CC(N)C(OCC1CCOCC1)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-1-(oxan-4-ylmethoxy)propan-2-amine?
The InChIKey is FWAKBMUZGMECFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-11(17)15(13-4-2-3-5-14(13)16)19-10-12-6-8-18-9-7-12/h2-5,11-12,15H,6-10,17H2,1H3.
What are the key properties of 1-(2-bromophenyl)-1-(oxan-4-ylmethoxy)propan-2-amine?
1-(2-bromophenyl)-1-(oxan-4-ylmethoxy)propan-2-amine has a molecular weight of 328.25 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-1-(oxan-4-ylmethoxy)propan-2-amine is sourced from PubChem (CID 62382399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).