1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-2-(methylamino)ethanol

C18H31NO2 — CID 117473718

IUPAC1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(C(C)(C)CC(C)(C)C)ccc1OC
InChIInChI=1S/C18H31NO2/c1-17(2,3)12-18(4,5)13-8-9-16(21-7)14(10-13)15(20)11-19-6/h8-10,15,19-20H,11-12H2,1-7H3
InChIKeyCDQYZBYRDFMGKV-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.66
Rot. Bonds6

About 1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-2-(methylamino)ethanol

1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-2-(methylamino)ethanol (PubChem CID 117473718) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-2-(methylamino)ethanol
PubChem CID117473718
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(C(C)(C)CC(C)(C)C)ccc1OC
InChIInChI=1S/C18H31NO2/c1-17(2,3)12-18(4,5)13-8-9-16(21-7)14(10-13)15(20)11-19-6/h8-10,15,19-20H,11-12H2,1-7H3
InChIKeyCDQYZBYRDFMGKV-UHFFFAOYSA-N
XLogP3.66
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propan-1-amine
CID 117445044
1-(5-tert-butyl-2-methoxyphenyl)-2-(propan-2-ylamino)ethanol
CID 112510982
1-(2-methoxyphenyl)-2-(methylamino)ethanol
CID 14888491
1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propan-2-ol
CID 117446796
1-(5-tert-butyl-2-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine
CID 116947893
1-(2,5-dimethoxy-4-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 112514039
1-(2,5-dimethoxy-4-methylsulfanylphenyl)-2-(methylamino)ethanol
CID 117397134
N'-[2-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropyl]-N-methylmethanediamine
CID 115227470
1-(3-methoxy-2-methylphenyl)-2-(methylamino)ethanol
CID 83698787
1-[3-(difluoromethyl)-4-methoxyphenyl]-2-(methylamino)ethanol
CID 117333852
2-(tert-butylamino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60901325
1-(4,5-dimethoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 117386619

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-2-(methylamino)ethanol?
The IUPAC name of 1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-2-(methylamino)ethanol (CID 117473718) is 1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-2-(methylamino)ethanol.
What is the SMILES notation for 1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-2-(methylamino)ethanol?
The canonical SMILES for 1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-2-(methylamino)ethanol is CNCC(O)c1cc(C(C)(C)CC(C)(C)C)ccc1OC.
What is the InChIKey of 1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-2-(methylamino)ethanol?
The InChIKey is CDQYZBYRDFMGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-17(2,3)12-18(4,5)13-8-9-16(21-7)14(10-13)15(20)11-19-6/h8-10,15,19-20H,11-12H2,1-7H3.
What are the key properties of 1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-2-(methylamino)ethanol?
1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-2-(methylamino)ethanol has a molecular weight of 293.45 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-2-(methylamino)ethanol is sourced from PubChem (CID 117473718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).