[4-(oxolan-2-ylmethylamino)phenyl]methanol

C12H17NO2 — CID 83962258

IUPAC[4-(oxolan-2-ylmethylamino)phenyl]methanol
SMILESOCc1ccc(NCC2CCCO2)cc1
InChIInChI=1S/C12H17NO2/c14-9-10-3-5-11(6-4-10)13-8-12-2-1-7-15-12/h3-6,12-14H,1-2,7-9H2
InChIKeyAJJXTNYSLZZGJF-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.77
Rot. Bonds4

About [4-(oxolan-2-ylmethylamino)phenyl]methanol

[4-(oxolan-2-ylmethylamino)phenyl]methanol (PubChem CID 83962258) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is [4-(oxolan-2-ylmethylamino)phenyl]methanol.

Molecular Properties

Compound Name[4-(oxolan-2-ylmethylamino)phenyl]methanol
PubChem CID83962258
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name[4-(oxolan-2-ylmethylamino)phenyl]methanol
SMILESOCc1ccc(NCC2CCCO2)cc1
InChIInChI=1S/C12H17NO2/c14-9-10-3-5-11(6-4-10)13-8-12-2-1-7-15-12/h3-6,12-14H,1-2,7-9H2
InChIKeyAJJXTNYSLZZGJF-UHFFFAOYSA-N
XLogP1.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(oxolan-2-ylmethylamino)benzamide
CID 43179718
4-(2-aminopropyl)-N-(oxolan-2-ylmethyl)aniline
CID 143867362
4-(oxolan-2-ylmethylamino)benzonitrile
CID 43176893
2-(4-bromophenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide
CID 112981222
2-(4-fluorophenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide
CID 112981193
4-iodo-N-(oxan-2-ylmethyl)aniline
CID 43403484
1-[4-[[(2R)-oxolan-2-yl]methylamino]phenyl]butan-1-one
CID 25127473
4-butyl-N-(oxan-2-ylmethyl)aniline
CID 43403485
1-[4-(oxan-2-ylmethylamino)phenyl]ethanone
CID 115574155
N-[4-(oxolan-2-ylmethylamino)phenyl]methanesulfonamide
CID 82833910
1-[4-(oxolan-2-ylmethylamino)phenyl]-3-propan-2-ylurea
CID 112981227
N-[4-(oxolan-2-ylmethylamino)phenyl]butanamide
CID 112981160

Frequently Asked Questions

What is the IUPAC name of [4-(oxolan-2-ylmethylamino)phenyl]methanol?
The IUPAC name of [4-(oxolan-2-ylmethylamino)phenyl]methanol (CID 83962258) is [4-(oxolan-2-ylmethylamino)phenyl]methanol.
What is the SMILES notation for [4-(oxolan-2-ylmethylamino)phenyl]methanol?
The canonical SMILES for [4-(oxolan-2-ylmethylamino)phenyl]methanol is OCc1ccc(NCC2CCCO2)cc1.
What is the InChIKey of [4-(oxolan-2-ylmethylamino)phenyl]methanol?
The InChIKey is AJJXTNYSLZZGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c14-9-10-3-5-11(6-4-10)13-8-12-2-1-7-15-12/h3-6,12-14H,1-2,7-9H2.
What are the key properties of [4-(oxolan-2-ylmethylamino)phenyl]methanol?
[4-(oxolan-2-ylmethylamino)phenyl]methanol has a molecular weight of 207.27 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(oxolan-2-ylmethylamino)phenyl]methanol is sourced from PubChem (CID 83962258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).