1-[4-(aminomethyl)oxan-4-yl]-1-(2-methylphenyl)ethanol

C15H23NO2 — CID 79128669

IUPAC1-[4-(aminomethyl)oxan-4-yl]-1-(2-methylphenyl)ethanol
SMILESCc1ccccc1C(C)(O)C1(CN)CCOCC1
InChIInChI=1S/C15H23NO2/c1-12-5-3-4-6-13(12)14(2,17)15(11-16)7-9-18-10-8-15/h3-6,17H,7-11,16H2,1-2H3
InChIKeyQSHCVLATZNDFAK-UHFFFAOYSA-N
MW249.35 g/mol
LogP1.96
Rot. Bonds3

About 1-[4-(aminomethyl)oxan-4-yl]-1-(2-methylphenyl)ethanol

1-[4-(aminomethyl)oxan-4-yl]-1-(2-methylphenyl)ethanol (PubChem CID 79128669) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-[4-(aminomethyl)oxan-4-yl]-1-(2-methylphenyl)ethanol.

Molecular Properties

Compound Name1-[4-(aminomethyl)oxan-4-yl]-1-(2-methylphenyl)ethanol
PubChem CID79128669
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-[4-(aminomethyl)oxan-4-yl]-1-(2-methylphenyl)ethanol
SMILESCc1ccccc1C(C)(O)C1(CN)CCOCC1
InChIInChI=1S/C15H23NO2/c1-12-5-3-4-6-13(12)14(2,17)15(11-16)7-9-18-10-8-15/h3-6,17H,7-11,16H2,1-2H3
InChIKeyQSHCVLATZNDFAK-UHFFFAOYSA-N
XLogP1.96
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(aminomethyl)-4-methylcyclohexyl]-1-(2-methylphenyl)ethanol
CID 79128362
1-[3-(aminomethyl)oxolan-3-yl]-1-(2-bromophenyl)ethanol
CID 79126820
1-[1-(aminomethyl)-3-methylcyclopentyl]-1-(2-methylphenyl)ethanol
CID 79127710
1-[3-(aminomethyl)oxan-3-yl]-1-(2-fluorophenyl)ethanol
CID 113246827
1-[1-(aminomethyl)cyclooctyl]-1-(2,5-dimethylphenyl)ethanol
CID 80610563
1-[1-(aminomethyl)cyclobutyl]-1-(2-methoxyphenyl)ethanol
CID 79128526
1-[4-(aminomethyl)oxan-4-yl]-1-phenylbutan-1-ol
CID 79134639
1-[3-(aminomethyl)oxolan-3-yl]-1-(2-fluorophenyl)propan-1-ol
CID 112680362
4-amino-3,3-dimethyl-2-(2-methylphenyl)butan-2-ol
CID 79127709
2-[4-(aminomethyl)oxan-4-yl]-1-(3-fluorophenyl)propan-2-ol
CID 114835091
(S)-[4-(aminomethyl)oxan-4-yl]-(2-methylphenyl)methanol
CID 97035219
1-[4-(aminomethyl)oxan-4-yl]-2-(2,6-dimethylphenyl)ethanone
CID 116603088

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)oxan-4-yl]-1-(2-methylphenyl)ethanol?
The IUPAC name of 1-[4-(aminomethyl)oxan-4-yl]-1-(2-methylphenyl)ethanol (CID 79128669) is 1-[4-(aminomethyl)oxan-4-yl]-1-(2-methylphenyl)ethanol.
What is the SMILES notation for 1-[4-(aminomethyl)oxan-4-yl]-1-(2-methylphenyl)ethanol?
The canonical SMILES for 1-[4-(aminomethyl)oxan-4-yl]-1-(2-methylphenyl)ethanol is Cc1ccccc1C(C)(O)C1(CN)CCOCC1.
What is the InChIKey of 1-[4-(aminomethyl)oxan-4-yl]-1-(2-methylphenyl)ethanol?
The InChIKey is QSHCVLATZNDFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12-5-3-4-6-13(12)14(2,17)15(11-16)7-9-18-10-8-15/h3-6,17H,7-11,16H2,1-2H3.
What are the key properties of 1-[4-(aminomethyl)oxan-4-yl]-1-(2-methylphenyl)ethanol?
1-[4-(aminomethyl)oxan-4-yl]-1-(2-methylphenyl)ethanol has a molecular weight of 249.35 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)oxan-4-yl]-1-(2-methylphenyl)ethanol is sourced from PubChem (CID 79128669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).