3-[[1-(3-methylphenyl)ethylamino]methyl]oxolan-3-ol

C14H21NO2 — CID 103904871

IUPAC3-[[1-(3-methylphenyl)ethylamino]methyl]oxolan-3-ol
SMILESCc1cccc(C(C)NCC2(O)CCOC2)c1
InChIInChI=1S/C14H21NO2/c1-11-4-3-5-13(8-11)12(2)15-9-14(16)6-7-17-10-14/h3-5,8,12,15-16H,6-7,9-10H2,1-2H3
InChIKeyFBOLDHZLSCJUJZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.80
Rot. Bonds4

About 3-[[1-(3-methylphenyl)ethylamino]methyl]oxolan-3-ol

3-[[1-(3-methylphenyl)ethylamino]methyl]oxolan-3-ol (PubChem CID 103904871) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[[1-(3-methylphenyl)ethylamino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[1-(3-methylphenyl)ethylamino]methyl]oxolan-3-ol
PubChem CID103904871
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-[[1-(3-methylphenyl)ethylamino]methyl]oxolan-3-ol
SMILESCc1cccc(C(C)NCC2(O)CCOC2)c1
InChIInChI=1S/C14H21NO2/c1-11-4-3-5-13(8-11)12(2)15-9-14(16)6-7-17-10-14/h3-5,8,12,15-16H,6-7,9-10H2,1-2H3
InChIKeyFBOLDHZLSCJUJZ-UHFFFAOYSA-N
XLogP1.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]oxolan-3-ol
CID 97108282
(3R)-3-[[[(1R)-1-(4-bromo-3-methylphenyl)ethyl]amino]methyl]oxolan-3-ol
CID 100679283
3-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]methyl]oxolan-3-ol
CID 103904838
3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]oxolan-3-ol
CID 103904846
4-[[1-(3-bromophenyl)ethylamino]methyl]oxan-4-ol
CID 79140113
3-[[1-(4-chlorophenyl)ethylamino]methyl]oxolan-3-ol
CID 103904766
3-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylamino]methyl]oxolan-3-ol
CID 103904784
3-[(1-thiophen-3-ylethylamino)methyl]oxolan-3-ol
CID 115896443
3-[[1-(2-hydroxyphenyl)ethylamino]methyl]oxolan-3-ol
CID 113383834
(3S)-3-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]oxolan-3-ol
CID 97116089
3-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]oxolan-3-ol
CID 103904763
4-[[1-(2,5-dimethylphenyl)ethylamino]methyl]oxan-4-ol
CID 81131119

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3-methylphenyl)ethylamino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[1-(3-methylphenyl)ethylamino]methyl]oxolan-3-ol (CID 103904871) is 3-[[1-(3-methylphenyl)ethylamino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[1-(3-methylphenyl)ethylamino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[1-(3-methylphenyl)ethylamino]methyl]oxolan-3-ol is Cc1cccc(C(C)NCC2(O)CCOC2)c1.
What is the InChIKey of 3-[[1-(3-methylphenyl)ethylamino]methyl]oxolan-3-ol?
The InChIKey is FBOLDHZLSCJUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-4-3-5-13(8-11)12(2)15-9-14(16)6-7-17-10-14/h3-5,8,12,15-16H,6-7,9-10H2,1-2H3.
What are the key properties of 3-[[1-(3-methylphenyl)ethylamino]methyl]oxolan-3-ol?
3-[[1-(3-methylphenyl)ethylamino]methyl]oxolan-3-ol has a molecular weight of 235.33 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(3-methylphenyl)ethylamino]methyl]oxolan-3-ol is sourced from PubChem (CID 103904871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).