[3-(aminomethyl)oxolan-3-yl]-phenylmethanol

C12H17NO2 — CID 79134982

IUPAC[3-(aminomethyl)oxolan-3-yl]-phenylmethanol
SMILESNCC1(C(O)c2ccccc2)CCOC1
InChIInChI=1S/C12H17NO2/c13-8-12(6-7-15-9-12)11(14)10-4-2-1-3-5-10/h1-5,11,14H,6-9,13H2
InChIKeyMIGUDQJIIWRCQF-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.09
Rot. Bonds3

About [3-(aminomethyl)oxolan-3-yl]-phenylmethanol

[3-(aminomethyl)oxolan-3-yl]-phenylmethanol (PubChem CID 79134982) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is [3-(aminomethyl)oxolan-3-yl]-phenylmethanol.

Molecular Properties

Compound Name[3-(aminomethyl)oxolan-3-yl]-phenylmethanol
PubChem CID79134982
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name[3-(aminomethyl)oxolan-3-yl]-phenylmethanol
SMILESNCC1(C(O)c2ccccc2)CCOC1
InChIInChI=1S/C12H17NO2/c13-8-12(6-7-15-9-12)11(14)10-4-2-1-3-5-10/h1-5,11,14H,6-9,13H2
InChIKeyMIGUDQJIIWRCQF-UHFFFAOYSA-N
XLogP1.09
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(aminomethyl)oxolan-3-yl]-(4-bromophenyl)methanol
CID 79134979
[3-(aminomethyl)oxolan-3-yl]-[4-(trifluoromethyl)phenyl]methanol
CID 79135823
[3-(aminomethyl)oxolan-3-yl]-(furan-2-yl)methanol
CID 79134983
[3-(aminomethyl)oxolan-3-yl]-(1-benzofuran-2-yl)methanol
CID 79138546
[3-(aminomethyl)oxan-3-yl]-pyridin-3-ylmethanol
CID 103715992
[3-(aminomethyl)oxolan-3-yl]-(2-methylquinolin-4-yl)methanol
CID 79235310
[4-(aminomethyl)oxan-4-yl]-pyridin-3-ylmethanol
CID 79134625
(R)-[4-(aminomethyl)oxan-4-yl]-(4-methoxyphenyl)methanol
CID 97035178
[3-(aminomethyl)oxolan-3-yl]-(3-bromothiophen-2-yl)methanol
CID 115381508
[4-(aminomethyl)oxan-4-yl]-(4-propan-2-yloxyphenyl)methanol
CID 79135593
[1-(aminomethyl)-3-ethylcyclohexyl]-phenylmethanol
CID 79135617
(S)-[4-(aminomethyl)oxan-4-yl]-(2-methylphenyl)methanol
CID 97035219

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)oxolan-3-yl]-phenylmethanol?
The IUPAC name of [3-(aminomethyl)oxolan-3-yl]-phenylmethanol (CID 79134982) is [3-(aminomethyl)oxolan-3-yl]-phenylmethanol.
What is the SMILES notation for [3-(aminomethyl)oxolan-3-yl]-phenylmethanol?
The canonical SMILES for [3-(aminomethyl)oxolan-3-yl]-phenylmethanol is NCC1(C(O)c2ccccc2)CCOC1.
What is the InChIKey of [3-(aminomethyl)oxolan-3-yl]-phenylmethanol?
The InChIKey is MIGUDQJIIWRCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c13-8-12(6-7-15-9-12)11(14)10-4-2-1-3-5-10/h1-5,11,14H,6-9,13H2.
What are the key properties of [3-(aminomethyl)oxolan-3-yl]-phenylmethanol?
[3-(aminomethyl)oxolan-3-yl]-phenylmethanol has a molecular weight of 207.27 g/mol, XLogP of 1.09, 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]-phenylmethanol is sourced from PubChem (CID 79134982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).