[3-(aminomethyl)oxolan-3-yl]-(4-bromophenyl)methanol

C12H16BrNO2 — CID 79134979

IUPAC[3-(aminomethyl)oxolan-3-yl]-(4-bromophenyl)methanol
SMILESNCC1(C(O)c2ccc(Br)cc2)CCOC1
InChIInChI=1S/C12H16BrNO2/c13-10-3-1-9(2-4-10)11(15)12(7-14)5-6-16-8-12/h1-4,11,15H,5-8,14H2
InChIKeyJOOFOVROPOOHSZ-UHFFFAOYSA-N
MW286.17 g/mol
LogP1.85
Rot. Bonds3

About [3-(aminomethyl)oxolan-3-yl]-(4-bromophenyl)methanol

[3-(aminomethyl)oxolan-3-yl]-(4-bromophenyl)methanol (PubChem CID 79134979) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is [3-(aminomethyl)oxolan-3-yl]-(4-bromophenyl)methanol.

Molecular Properties

Compound Name[3-(aminomethyl)oxolan-3-yl]-(4-bromophenyl)methanol
PubChem CID79134979
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name[3-(aminomethyl)oxolan-3-yl]-(4-bromophenyl)methanol
SMILESNCC1(C(O)c2ccc(Br)cc2)CCOC1
InChIInChI=1S/C12H16BrNO2/c13-10-3-1-9(2-4-10)11(15)12(7-14)5-6-16-8-12/h1-4,11,15H,5-8,14H2
InChIKeyJOOFOVROPOOHSZ-UHFFFAOYSA-N
XLogP1.85
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(aminomethyl)oxolan-3-yl]-phenylmethanol
CID 79134982
[3-(aminomethyl)oxolan-3-yl]-[4-(trifluoromethyl)phenyl]methanol
CID 79135823
[3-(aminomethyl)oxolan-3-yl]-(3-bromothiophen-2-yl)methanol
CID 115381508
[3-(aminomethyl)oxan-3-yl]-(3-bromo-4-chlorophenyl)methanol
CID 114113377
[3-(aminomethyl)oxolan-3-yl]-(furan-2-yl)methanol
CID 79134983
(R)-[4-(aminomethyl)oxan-4-yl]-(4-methoxyphenyl)methanol
CID 97035178
[4-(aminomethyl)oxan-4-yl]-(4-propan-2-yloxyphenyl)methanol
CID 79135593
[3-(aminomethyl)oxan-3-yl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol
CID 103716034
[3-(aminomethyl)oxolan-3-yl]-(1-benzofuran-2-yl)methanol
CID 79138546
[3-(aminomethyl)oxan-3-yl]-pyridin-3-ylmethanol
CID 103715992
[4-(aminomethyl)oxan-4-yl]-(6-methyl-3-pyridinyl)methanol
CID 104824016
[3-(4-bromophenyl)oxolan-3-yl]methanol
CID 142784119

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)oxolan-3-yl]-(4-bromophenyl)methanol?
The IUPAC name of [3-(aminomethyl)oxolan-3-yl]-(4-bromophenyl)methanol (CID 79134979) is [3-(aminomethyl)oxolan-3-yl]-(4-bromophenyl)methanol.
What is the SMILES notation for [3-(aminomethyl)oxolan-3-yl]-(4-bromophenyl)methanol?
The canonical SMILES for [3-(aminomethyl)oxolan-3-yl]-(4-bromophenyl)methanol is NCC1(C(O)c2ccc(Br)cc2)CCOC1.
What is the InChIKey of [3-(aminomethyl)oxolan-3-yl]-(4-bromophenyl)methanol?
The InChIKey is JOOFOVROPOOHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c13-10-3-1-9(2-4-10)11(15)12(7-14)5-6-16-8-12/h1-4,11,15H,5-8,14H2.
What are the key properties of [3-(aminomethyl)oxolan-3-yl]-(4-bromophenyl)methanol?
[3-(aminomethyl)oxolan-3-yl]-(4-bromophenyl)methanol has a molecular weight of 286.17 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)oxolan-3-yl]-(4-bromophenyl)methanol is sourced from PubChem (CID 79134979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).