(3-aminophenyl)-(oxan-3-yl)methanol

C12H17NO2 — CID 107136268

IUPAC(3-aminophenyl)-(oxan-3-yl)methanol
SMILESNc1cccc(C(O)C2CCCOC2)c1
InChIInChI=1S/C12H17NO2/c13-11-5-1-3-9(7-11)12(14)10-4-2-6-15-8-10/h1,3,5,7,10,12,14H,2,4,6,8,13H2
InChIKeyHAIMYHPTHXGDFZ-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.73
Rot. Bonds2

About (3-aminophenyl)-(oxan-3-yl)methanol

(3-aminophenyl)-(oxan-3-yl)methanol (PubChem CID 107136268) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (3-aminophenyl)-(oxan-3-yl)methanol.

Molecular Properties

Compound Name(3-aminophenyl)-(oxan-3-yl)methanol
PubChem CID107136268
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(3-aminophenyl)-(oxan-3-yl)methanol
SMILESNc1cccc(C(O)C2CCCOC2)c1
InChIInChI=1S/C12H17NO2/c13-11-5-1-3-9(7-11)12(14)10-4-2-6-15-8-10/h1,3,5,7,10,12,14H,2,4,6,8,13H2
InChIKeyHAIMYHPTHXGDFZ-UHFFFAOYSA-N
XLogP1.73
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-aminophenyl)-cyclobutylmethanol
CID 105437114
[3-(methoxymethyl)phenyl]-(oxan-3-yl)methanol
CID 107135606
oxan-3-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanol
CID 63015264
(3-aminophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 106695822
(4-bromophenyl)-(oxan-3-yl)methanol
CID 63015439
(3-bromo-4-fluorophenyl)-(oxan-3-yl)methanol
CID 79746537
(2-amino-3-fluorophenyl)-(oxan-3-yl)methanol
CID 105482980
oxan-3-yl(quinolin-7-yl)methanol
CID 81216710
oxan-3-yl(quinolin-6-yl)methanol
CID 81215748
oxan-3-yl(thiophen-3-yl)methanol
CID 65099967
(4-methylsulfanylphenyl)-(oxan-3-yl)methanol
CID 107136272
(4-ethylphenyl)-(oxan-3-yl)methanol
CID 63014910

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-(oxan-3-yl)methanol?
The IUPAC name of (3-aminophenyl)-(oxan-3-yl)methanol (CID 107136268) is (3-aminophenyl)-(oxan-3-yl)methanol.
What is the SMILES notation for (3-aminophenyl)-(oxan-3-yl)methanol?
The canonical SMILES for (3-aminophenyl)-(oxan-3-yl)methanol is Nc1cccc(C(O)C2CCCOC2)c1.
What is the InChIKey of (3-aminophenyl)-(oxan-3-yl)methanol?
The InChIKey is HAIMYHPTHXGDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c13-11-5-1-3-9(7-11)12(14)10-4-2-6-15-8-10/h1,3,5,7,10,12,14H,2,4,6,8,13H2.
What are the key properties of (3-aminophenyl)-(oxan-3-yl)methanol?
(3-aminophenyl)-(oxan-3-yl)methanol has a molecular weight of 207.27 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-(oxan-3-yl)methanol is sourced from PubChem (CID 107136268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).