[3-(4-bromophenyl)oxan-3-yl]methanamine

C12H16BrNO — CID 83826005

IUPAC[3-(4-bromophenyl)oxan-3-yl]methanamine
SMILESNCC1(c2ccc(Br)cc2)CCCOC1
InChIInChI=1S/C12H16BrNO/c13-11-4-2-10(3-5-11)12(8-14)6-1-7-15-9-12/h2-5H,1,6-9,14H2
InChIKeyJHJCCIOMLNRSQB-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.46
Rot. Bonds2

About [3-(4-bromophenyl)oxan-3-yl]methanamine

[3-(4-bromophenyl)oxan-3-yl]methanamine (PubChem CID 83826005) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is [3-(4-bromophenyl)oxan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(4-bromophenyl)oxan-3-yl]methanamine
PubChem CID83826005
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name[3-(4-bromophenyl)oxan-3-yl]methanamine
SMILESNCC1(c2ccc(Br)cc2)CCCOC1
InChIInChI=1S/C12H16BrNO/c13-11-4-2-10(3-5-11)12(8-14)6-1-7-15-9-12/h2-5H,1,6-9,14H2
InChIKeyJHJCCIOMLNRSQB-UHFFFAOYSA-N
XLogP2.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-bromophenyl)cyclopentyl]methanamine
CID 43119067
[3-(4-bromophenyl)oxolan-3-yl]methanol
CID 142784119
2-(3-phenyloxan-3-yl)ethanamine
CID 83819944
[3-[3-(trifluoromethyl)phenyl]oxan-3-yl]methanamine
CID 83825736
(3-phenyloxan-3-yl)methanol
CID 168870348
(3R)-3-(4-bromophenyl)oxane-3-carbonitrile
CID 125449886
3-(aminomethyl)-3-(4-bromophenyl)cyclobutan-1-one
CID 64904192
[3-(2-ethylphenyl)oxan-3-yl]methanamine
CID 83822197
4-(4-bromophenyl)-4-(fluoromethyl)oxane
CID 67363098
[4-[1-(aminomethyl)cyclopropyl]phenyl]-(4-bromophenyl)methanone
CID 84608781
[3-(aminomethyl)oxolan-3-yl]-(4-bromophenyl)methanol
CID 79134979
1-bromo-4-[1-(chloromethyl)cyclohexyl]benzene
CID 82094186

Frequently Asked Questions

What is the IUPAC name of [3-(4-bromophenyl)oxan-3-yl]methanamine?
The IUPAC name of [3-(4-bromophenyl)oxan-3-yl]methanamine (CID 83826005) is [3-(4-bromophenyl)oxan-3-yl]methanamine.
What is the SMILES notation for [3-(4-bromophenyl)oxan-3-yl]methanamine?
The canonical SMILES for [3-(4-bromophenyl)oxan-3-yl]methanamine is NCC1(c2ccc(Br)cc2)CCCOC1.
What is the InChIKey of [3-(4-bromophenyl)oxan-3-yl]methanamine?
The InChIKey is JHJCCIOMLNRSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c13-11-4-2-10(3-5-11)12(8-14)6-1-7-15-9-12/h2-5H,1,6-9,14H2.
What are the key properties of [3-(4-bromophenyl)oxan-3-yl]methanamine?
[3-(4-bromophenyl)oxan-3-yl]methanamine has a molecular weight of 270.17 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromophenyl)oxan-3-yl]methanamine is sourced from PubChem (CID 83826005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).