3-amino-2-(2-methylphenyl)-1-(oxan-4-yl)propan-1-ol

C15H23NO2 — CID 65186566

IUPAC3-amino-2-(2-methylphenyl)-1-(oxan-4-yl)propan-1-ol
SMILESCc1ccccc1C(CN)C(O)C1CCOCC1
InChIInChI=1S/C15H23NO2/c1-11-4-2-3-5-13(11)14(10-16)15(17)12-6-8-18-9-7-12/h2-5,12,14-15,17H,6-10,16H2,1H3
InChIKeyZWJCOXQFSPLXRQ-UHFFFAOYSA-N
MW249.35 g/mol
LogP1.82
Rot. Bonds4

About 3-amino-2-(2-methylphenyl)-1-(oxan-4-yl)propan-1-ol

3-amino-2-(2-methylphenyl)-1-(oxan-4-yl)propan-1-ol (PubChem CID 65186566) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-amino-2-(2-methylphenyl)-1-(oxan-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2-methylphenyl)-1-(oxan-4-yl)propan-1-ol
PubChem CID65186566
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-amino-2-(2-methylphenyl)-1-(oxan-4-yl)propan-1-ol
SMILESCc1ccccc1C(CN)C(O)C1CCOCC1
InChIInChI=1S/C15H23NO2/c1-11-4-2-3-5-13(11)14(10-16)15(17)12-6-8-18-9-7-12/h2-5,12,14-15,17H,6-10,16H2,1H3
InChIKeyZWJCOXQFSPLXRQ-UHFFFAOYSA-N
XLogP1.82
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(2-methoxy-5-methylphenyl)-1-(oxan-4-yl)propan-1-ol
CID 65185434
(S)-(2-methylphenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171242964
3-amino-2-(5-chloro-2-methoxyphenyl)-1-(oxan-4-yl)propan-1-ol
CID 65189959
3-amino-2-(2,6-dichlorophenyl)-1-(oxan-4-yl)propan-1-ol
CID 65185077
1-amino-4-methyl-2-(2-methylphenyl)pentan-3-ol
CID 65184879
(S)-[4-(aminomethyl)oxan-4-yl]-(2-methylphenyl)methanol
CID 97035219
3-amino-1-cyclopentyl-2-(2-methoxyphenyl)propan-1-ol
CID 65190124
3-amino-2-(2-bromophenyl)-1-cyclohexylpropan-1-ol
CID 65189456
3-amino-1-(2-fluoro-3-methylphenyl)-2-(2-methylphenyl)propan-1-ol
CID 81478773
(R)-(2,3-dimethylphenyl)-(oxan-4-yl)methanamine
CID 131424754
3-amino-2-(2-methylphenyl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-ol
CID 65185130
(1R,2R)-3-amino-1-cyclohexyl-2-naphthalen-1-ylpropan-1-ol
CID 69271499

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-methylphenyl)-1-(oxan-4-yl)propan-1-ol?
The IUPAC name of 3-amino-2-(2-methylphenyl)-1-(oxan-4-yl)propan-1-ol (CID 65186566) is 3-amino-2-(2-methylphenyl)-1-(oxan-4-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(2-methylphenyl)-1-(oxan-4-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-(2-methylphenyl)-1-(oxan-4-yl)propan-1-ol is Cc1ccccc1C(CN)C(O)C1CCOCC1.
What is the InChIKey of 3-amino-2-(2-methylphenyl)-1-(oxan-4-yl)propan-1-ol?
The InChIKey is ZWJCOXQFSPLXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-4-2-3-5-13(11)14(10-16)15(17)12-6-8-18-9-7-12/h2-5,12,14-15,17H,6-10,16H2,1H3.
What are the key properties of 3-amino-2-(2-methylphenyl)-1-(oxan-4-yl)propan-1-ol?
3-amino-2-(2-methylphenyl)-1-(oxan-4-yl)propan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-methylphenyl)-1-(oxan-4-yl)propan-1-ol is sourced from PubChem (CID 65186566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).