1-(3,5-dimethylphenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol

C16H25NO2 — CID 79039900

IUPAC1-(3,5-dimethylphenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol
SMILESCc1cc(C)cc(C(O)CN(C)CC2CCCO2)c1
InChIInChI=1S/C16H25NO2/c1-12-7-13(2)9-14(8-12)16(18)11-17(3)10-15-5-4-6-19-15/h7-9,15-16,18H,4-6,10-11H2,1-3H3
InChIKeyUPGJQSRLPNBXBJ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.45
Rot. Bonds5

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

1-(3,5-dimethylphenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol (PubChem CID 79039900) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol
PubChem CID79039900
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(3,5-dimethylphenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol
SMILESCc1cc(C)cc(C(O)CN(C)CC2CCCO2)c1
InChIInChI=1S/C16H25NO2/c1-12-7-13(2)9-14(8-12)16(18)11-17(3)10-15-5-4-6-19-15/h7-9,15-16,18H,4-6,10-11H2,1-3H3
InChIKeyUPGJQSRLPNBXBJ-UHFFFAOYSA-N
XLogP2.45
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol
CID 110898632
(2S)-1-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol
CID 103935026
1-(3-bromophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanol
CID 110902060
N'-methyl-1-(4-methylphenyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61431491
1-(2,5-difluorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol
CID 110898634
4-methyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol
CID 82978354
N'-methyl-1-(4-methylphenyl)-N'-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 61431684
2-(bromomethyl)-N,3,3-trimethyl-N-(oxolan-2-ylmethyl)butan-1-amine
CID 65015785
(3,5-dimethylphenyl)-(oxolan-2-yl)methanol
CID 65331478
1-(4-methylphenyl)-2-(oxolan-2-yl)ethanol
CID 60797370
1-(4-fluorophenyl)-3-[methyl(oxolan-2-ylmethyl)amino]propan-1-ol
CID 55099454
N',2-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
CID 61431602

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol?
The IUPAC name of 1-(3,5-dimethylphenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol (CID 79039900) is 1-(3,5-dimethylphenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol is Cc1cc(C)cc(C(O)CN(C)CC2CCCO2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol?
The InChIKey is UPGJQSRLPNBXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-7-13(2)9-14(8-12)16(18)11-17(3)10-15-5-4-6-19-15/h7-9,15-16,18H,4-6,10-11H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol?
1-(3,5-dimethylphenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol has a molecular weight of 263.38 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 79039900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).