4-[[(1S)-1-(4-methylphenyl)ethyl]amino]oxolan-3-ol

C13H19NO2 — CID 81355689

IUPAC4-[[(1S)-1-(4-methylphenyl)ethyl]amino]oxolan-3-ol
SMILESCc1ccc([C@H](C)NC2COCC2O)cc1
InChIInChI=1S/C13H19NO2/c1-9-3-5-11(6-4-9)10(2)14-12-7-16-8-13(12)15/h3-6,10,12-15H,7-8H2,1-2H3/t10-,12?,13?/m0/s1
InChIKeyDHZSGYQQEKZQBG-PKSQDBQZSA-N
MW221.30 g/mol
LogP1.41
Rot. Bonds3

About 4-[[(1S)-1-(4-methylphenyl)ethyl]amino]oxolan-3-ol

4-[[(1S)-1-(4-methylphenyl)ethyl]amino]oxolan-3-ol (PubChem CID 81355689) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-[[(1S)-1-(4-methylphenyl)ethyl]amino]oxolan-3-ol.

Molecular Properties

Compound Name4-[[(1S)-1-(4-methylphenyl)ethyl]amino]oxolan-3-ol
PubChem CID81355689
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-[[(1S)-1-(4-methylphenyl)ethyl]amino]oxolan-3-ol
SMILESCc1ccc([C@H](C)NC2COCC2O)cc1
InChIInChI=1S/C13H19NO2/c1-9-3-5-11(6-4-9)10(2)14-12-7-16-8-13(12)15/h3-6,10,12-15H,7-8H2,1-2H3/t10-,12?,13?/m0/s1
InChIKeyDHZSGYQQEKZQBG-PKSQDBQZSA-N
XLogP1.41
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(1R)-1-(3-bromophenyl)ethyl]amino]oxolan-3-ol
CID 81381501
4-[1-(3-methylfuran-2-yl)ethylamino]oxolan-3-ol
CID 115923427
4-[[(1S)-1-phenylethyl]amino]oxolane-3-carboxylic acid
CID 175965674
(3S,4S)-4-(propan-2-ylamino)oxolan-3-ol
CID 93383484
N-[1-(4-methylphenyl)ethyl]cyclopropanamine
CID 16771025
2-[1-(4-methylphenyl)ethylamino]cyclobutane-1-carboxylic acid
CID 103246093
4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]oxolan-3-ol
CID 115923399
4-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]oxolan-3-ol
CID 61193117
2,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
CID 81349071
N-[1-(4-methylphenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine
CID 103561638
1-N-[(1R)-1-(4-methylphenyl)ethyl]cyclobutane-1,3-diamine
CID 81349548
N-[1-(4-methylphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 103786716

Frequently Asked Questions

What is the IUPAC name of 4-[[(1S)-1-(4-methylphenyl)ethyl]amino]oxolan-3-ol?
The IUPAC name of 4-[[(1S)-1-(4-methylphenyl)ethyl]amino]oxolan-3-ol (CID 81355689) is 4-[[(1S)-1-(4-methylphenyl)ethyl]amino]oxolan-3-ol.
What is the SMILES notation for 4-[[(1S)-1-(4-methylphenyl)ethyl]amino]oxolan-3-ol?
The canonical SMILES for 4-[[(1S)-1-(4-methylphenyl)ethyl]amino]oxolan-3-ol is Cc1ccc([C@H](C)NC2COCC2O)cc1.
What is the InChIKey of 4-[[(1S)-1-(4-methylphenyl)ethyl]amino]oxolan-3-ol?
The InChIKey is DHZSGYQQEKZQBG-PKSQDBQZSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-3-5-11(6-4-9)10(2)14-12-7-16-8-13(12)15/h3-6,10,12-15H,7-8H2,1-2H3/t10-,12?,13?/m0/s1.
What are the key properties of 4-[[(1S)-1-(4-methylphenyl)ethyl]amino]oxolan-3-ol?
4-[[(1S)-1-(4-methylphenyl)ethyl]amino]oxolan-3-ol has a molecular weight of 221.30 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S)-1-(4-methylphenyl)ethyl]amino]oxolan-3-ol is sourced from PubChem (CID 81355689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).