(1R)-1-(2,5-dimethylphenyl)-2-[ethyl-[[(3R)-oxolan-3-yl]methyl]amino]ethanol

C17H27NO2 — CID 96519387

IUPAC(1R)-1-(2,5-dimethylphenyl)-2-[ethyl-[[(3R)-oxolan-3-yl]methyl]amino]ethanol
SMILESCCN(C[C@H]1CCOC1)C[C@H](O)c1cc(C)ccc1C
InChIInChI=1S/C17H27NO2/c1-4-18(10-15-7-8-20-12-15)11-17(19)16-9-13(2)5-6-14(16)3/h5-6,9,15,17,19H,4,7-8,10-12H2,1-3H3/t15-,17+/m1/s1
InChIKeyPNELGSQDNINNPI-WBVHZDCISA-N
MW277.41 g/mol
LogP2.70
Rot. Bonds6

About (1R)-1-(2,5-dimethylphenyl)-2-[ethyl-[[(3R)-oxolan-3-yl]methyl]amino]ethanol

(1R)-1-(2,5-dimethylphenyl)-2-[ethyl-[[(3R)-oxolan-3-yl]methyl]amino]ethanol (PubChem CID 96519387) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is (1R)-1-(2,5-dimethylphenyl)-2-[ethyl-[[(3R)-oxolan-3-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name(1R)-1-(2,5-dimethylphenyl)-2-[ethyl-[[(3R)-oxolan-3-yl]methyl]amino]ethanol
PubChem CID96519387
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name(1R)-1-(2,5-dimethylphenyl)-2-[ethyl-[[(3R)-oxolan-3-yl]methyl]amino]ethanol
SMILESCCN(C[C@H]1CCOC1)C[C@H](O)c1cc(C)ccc1C
InChIInChI=1S/C17H27NO2/c1-4-18(10-15-7-8-20-12-15)11-17(19)16-9-13(2)5-6-14(16)3/h5-6,9,15,17,19H,4,7-8,10-12H2,1-3H3/t15-,17+/m1/s1
InChIKeyPNELGSQDNINNPI-WBVHZDCISA-N
XLogP2.70
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylphenyl)-2-[ethyl(2-ethylbutyl)amino]ethanol
CID 63471145
1-(2,5-dimethylphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 113362110
N-[1-(2,5-dimethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 103987411
2-(dibutylamino)-1-(2,5-dimethylphenyl)ethanol
CID 63472284
1-(2,5-dimethylphenyl)-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethanol
CID 63236873
3-cyclohexyl-1-(2,5-dimethylphenyl)propan-1-ol
CID 55200190
1-[cyclopropyl(oxolan-3-ylmethyl)amino]-3-(2,4-dimethylphenoxy)propan-2-ol
CID 110891658
3-[chloro-(2,5-dimethylphenyl)methyl]oxolane
CID 61276891
2-[ethyl(oxolan-2-ylmethyl)amino]-1-(4-fluoro-2-methylphenyl)ethanol
CID 111565145
1-(2,5-dimethylphenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 62385424
1-(2-fluoro-5-methylphenyl)-2-(oxan-4-yl)ethanol
CID 115789568
(1S)-1-[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]ethanol
CID 78947172

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,5-dimethylphenyl)-2-[ethyl-[[(3R)-oxolan-3-yl]methyl]amino]ethanol?
The IUPAC name of (1R)-1-(2,5-dimethylphenyl)-2-[ethyl-[[(3R)-oxolan-3-yl]methyl]amino]ethanol (CID 96519387) is (1R)-1-(2,5-dimethylphenyl)-2-[ethyl-[[(3R)-oxolan-3-yl]methyl]amino]ethanol.
What is the SMILES notation for (1R)-1-(2,5-dimethylphenyl)-2-[ethyl-[[(3R)-oxolan-3-yl]methyl]amino]ethanol?
The canonical SMILES for (1R)-1-(2,5-dimethylphenyl)-2-[ethyl-[[(3R)-oxolan-3-yl]methyl]amino]ethanol is CCN(C[C@H]1CCOC1)C[C@H](O)c1cc(C)ccc1C.
What is the InChIKey of (1R)-1-(2,5-dimethylphenyl)-2-[ethyl-[[(3R)-oxolan-3-yl]methyl]amino]ethanol?
The InChIKey is PNELGSQDNINNPI-WBVHZDCISA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-18(10-15-7-8-20-12-15)11-17(19)16-9-13(2)5-6-14(16)3/h5-6,9,15,17,19H,4,7-8,10-12H2,1-3H3/t15-,17+/m1/s1.
What are the key properties of (1R)-1-(2,5-dimethylphenyl)-2-[ethyl-[[(3R)-oxolan-3-yl]methyl]amino]ethanol?
(1R)-1-(2,5-dimethylphenyl)-2-[ethyl-[[(3R)-oxolan-3-yl]methyl]amino]ethanol has a molecular weight of 277.41 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,5-dimethylphenyl)-2-[ethyl-[[(3R)-oxolan-3-yl]methyl]amino]ethanol is sourced from PubChem (CID 96519387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).