3-[2-(4-methoxyphenyl)ethylamino]-2,3-dimethylbutan-2-ol

C15H25NO2 — CID 103911966

IUPAC3-[2-(4-methoxyphenyl)ethylamino]-2,3-dimethylbutan-2-ol
SMILESCOc1ccc(CCNC(C)(C)C(C)(C)O)cc1
InChIInChI=1S/C15H25NO2/c1-14(2,15(3,4)17)16-11-10-12-6-8-13(18-5)9-7-12/h6-9,16-17H,10-11H2,1-5H3
InChIKeyHLHHCKPUSSJFAM-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.38
Rot. Bonds6

About 3-[2-(4-methoxyphenyl)ethylamino]-2,3-dimethylbutan-2-ol

3-[2-(4-methoxyphenyl)ethylamino]-2,3-dimethylbutan-2-ol (PubChem CID 103911966) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)ethylamino]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3-[2-(4-methoxyphenyl)ethylamino]-2,3-dimethylbutan-2-ol
PubChem CID103911966
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name3-[2-(4-methoxyphenyl)ethylamino]-2,3-dimethylbutan-2-ol
SMILESCOc1ccc(CCNC(C)(C)C(C)(C)O)cc1
InChIInChI=1S/C15H25NO2/c1-14(2,15(3,4)17)16-11-10-12-6-8-13(18-5)9-7-12/h6-9,16-17H,10-11H2,1-5H3
InChIKeyHLHHCKPUSSJFAM-UHFFFAOYSA-N
XLogP2.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-3-[2-(4-methoxyphenyl)ethyl]thiourea
CID 43384732
2-[2-(4-methoxyphenyl)ethylamino]-2-methylpentanoic acid
CID 43619666
N'-[2-(4-methoxyphenyl)ethyl]methanediamine
CID 115226003
2-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65264125
2,2,3,3-tetrafluoro-N,N'-bis[2-(4-methoxyphenyl)ethyl]butanediamide
CID 2933838
1-tert-butyl-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine
CID 110965810
2-[2-(4-methoxyphenyl)ethylcarbamoyl]-3,3-dimethylbutanoic acid
CID 116536584
N-tert-butyl-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964427
4-[2-(4-methoxyphenyl)ethylamino]benzoic acid
CID 62231026
3-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-2,3-dimethylbutan-2-ol
CID 103993390
(2R)-2-hydroxy-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 175743514
N-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylhexanamide
CID 166921561

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenyl)ethylamino]-2,3-dimethylbutan-2-ol?
The IUPAC name of 3-[2-(4-methoxyphenyl)ethylamino]-2,3-dimethylbutan-2-ol (CID 103911966) is 3-[2-(4-methoxyphenyl)ethylamino]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3-[2-(4-methoxyphenyl)ethylamino]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3-[2-(4-methoxyphenyl)ethylamino]-2,3-dimethylbutan-2-ol is COc1ccc(CCNC(C)(C)C(C)(C)O)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenyl)ethylamino]-2,3-dimethylbutan-2-ol?
The InChIKey is HLHHCKPUSSJFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-14(2,15(3,4)17)16-11-10-12-6-8-13(18-5)9-7-12/h6-9,16-17H,10-11H2,1-5H3.
What are the key properties of 3-[2-(4-methoxyphenyl)ethylamino]-2,3-dimethylbutan-2-ol?
3-[2-(4-methoxyphenyl)ethylamino]-2,3-dimethylbutan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenyl)ethylamino]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 103911966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).