1-[1-(2-methoxy-5-methylphenyl)ethylamino]-4,4-dimethylpentan-2-ol

C17H29NO2 — CID 103784409

IUPAC1-[1-(2-methoxy-5-methylphenyl)ethylamino]-4,4-dimethylpentan-2-ol
SMILESCOc1ccc(C)cc1C(C)NCC(O)CC(C)(C)C
InChIInChI=1S/C17H29NO2/c1-12-7-8-16(20-6)15(9-12)13(2)18-11-14(19)10-17(3,4)5/h7-9,13-14,18-19H,10-11H2,1-6H3
InChIKeyDOPHNEYULNVYCY-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.45
Rot. Bonds6

About 1-[1-(2-methoxy-5-methylphenyl)ethylamino]-4,4-dimethylpentan-2-ol

1-[1-(2-methoxy-5-methylphenyl)ethylamino]-4,4-dimethylpentan-2-ol (PubChem CID 103784409) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-[1-(2-methoxy-5-methylphenyl)ethylamino]-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[1-(2-methoxy-5-methylphenyl)ethylamino]-4,4-dimethylpentan-2-ol
PubChem CID103784409
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-[1-(2-methoxy-5-methylphenyl)ethylamino]-4,4-dimethylpentan-2-ol
SMILESCOc1ccc(C)cc1C(C)NCC(O)CC(C)(C)C
InChIInChI=1S/C17H29NO2/c1-12-7-8-16(20-6)15(9-12)13(2)18-11-14(19)10-17(3,4)5/h7-9,13-14,18-19H,10-11H2,1-6H3
InChIKeyDOPHNEYULNVYCY-UHFFFAOYSA-N
XLogP3.45
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,1-trifluoro-3-[1-(2-methoxy-5-methylphenyl)ethylamino]propan-2-ol
CID 103778660
2-[1-[(2-hydroxy-4,4-dimethylpentyl)amino]ethyl]-5-methoxyphenol
CID 104582540
2-(tert-butylamino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60901325
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 113262469
2-[1-(2-methoxy-5-methylphenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
CID 111382243
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,3-dimethylbutanamide
CID 51212300
3-[1-(2-methoxy-5-methylphenyl)ethylamino]-N,2,2-trimethylpropanamide
CID 104536098
N'-[1-(2-methoxy-5-methylphenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 43192134
[1-(2-methoxy-5-methylphenyl)-3,3-dimethylbutyl]hydrazine
CID 105220303
N-benzyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43177527
N-[(2,4-dimethylphenyl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43225415
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-2-(methylamino)propanamide
CID 55121780

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxy-5-methylphenyl)ethylamino]-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-[1-(2-methoxy-5-methylphenyl)ethylamino]-4,4-dimethylpentan-2-ol (CID 103784409) is 1-[1-(2-methoxy-5-methylphenyl)ethylamino]-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[1-(2-methoxy-5-methylphenyl)ethylamino]-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[1-(2-methoxy-5-methylphenyl)ethylamino]-4,4-dimethylpentan-2-ol is COc1ccc(C)cc1C(C)NCC(O)CC(C)(C)C.
What is the InChIKey of 1-[1-(2-methoxy-5-methylphenyl)ethylamino]-4,4-dimethylpentan-2-ol?
The InChIKey is DOPHNEYULNVYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-12-7-8-16(20-6)15(9-12)13(2)18-11-14(19)10-17(3,4)5/h7-9,13-14,18-19H,10-11H2,1-6H3.
What are the key properties of 1-[1-(2-methoxy-5-methylphenyl)ethylamino]-4,4-dimethylpentan-2-ol?
1-[1-(2-methoxy-5-methylphenyl)ethylamino]-4,4-dimethylpentan-2-ol has a molecular weight of 279.42 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxy-5-methylphenyl)ethylamino]-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 103784409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).