2-(3,3-dimethylbutan-2-ylamino)-1-(4-methoxyphenyl)ethanol

C15H25NO2 — CID 111333995

IUPAC2-(3,3-dimethylbutan-2-ylamino)-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CNC(C)C(C)(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-11(15(2,3)4)16-10-14(17)12-6-8-13(18-5)9-7-12/h6-9,11,14,16-17H,10H2,1-5H3
InChIKeyNXOUPDSJFRPOEM-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.75
Rot. Bonds5

About 2-(3,3-dimethylbutan-2-ylamino)-1-(4-methoxyphenyl)ethanol

2-(3,3-dimethylbutan-2-ylamino)-1-(4-methoxyphenyl)ethanol (PubChem CID 111333995) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(3,3-dimethylbutan-2-ylamino)-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(3,3-dimethylbutan-2-ylamino)-1-(4-methoxyphenyl)ethanol
PubChem CID111333995
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-(3,3-dimethylbutan-2-ylamino)-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CNC(C)C(C)(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-11(15(2,3)4)16-10-14(17)12-6-8-13(18-5)9-7-12/h6-9,11,14,16-17H,10H2,1-5H3
InChIKeyNXOUPDSJFRPOEM-UHFFFAOYSA-N
XLogP2.75
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(butan-2-ylamino)-1-(4-methoxyphenyl)ethanol
CID 60904151
(1R)-2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-1-naphthalen-2-ylethanol
CID 124562243
1-(4-methoxyphenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81347393
1-(4-methoxyphenyl)-2-(1-phenylethylamino)ethanol
CID 60766376
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-(4-methoxyphenyl)ethanol
CID 81356620
1-(4-methoxyphenyl)-3,4,4-trimethylpentan-1-ol
CID 63832253
2-hydrazinyl-1-(4-methoxyphenyl)ethanol
CID 21361112
N-ethyl-2-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]propanamide
CID 61476867
3-methoxy-1-(4-methoxyphenyl)-3-methylbutan-1-ol
CID 103027413
N-ethyl-2-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]-N-methylpropanamide
CID 103108710
(1R)-1-(6-amino-3-pyridinyl)-2-[[(2R)-3,3-dimethylbutan-2-yl]amino]ethanol;dihydrochloride
CID 67924545
(1R,3S)-1-(4-methoxyphenyl)butane-1,3-diol
CID 101493823

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutan-2-ylamino)-1-(4-methoxyphenyl)ethanol?
The IUPAC name of 2-(3,3-dimethylbutan-2-ylamino)-1-(4-methoxyphenyl)ethanol (CID 111333995) is 2-(3,3-dimethylbutan-2-ylamino)-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(3,3-dimethylbutan-2-ylamino)-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for 2-(3,3-dimethylbutan-2-ylamino)-1-(4-methoxyphenyl)ethanol is COc1ccc(C(O)CNC(C)C(C)(C)C)cc1.
What is the InChIKey of 2-(3,3-dimethylbutan-2-ylamino)-1-(4-methoxyphenyl)ethanol?
The InChIKey is NXOUPDSJFRPOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-11(15(2,3)4)16-10-14(17)12-6-8-13(18-5)9-7-12/h6-9,11,14,16-17H,10H2,1-5H3.
What are the key properties of 2-(3,3-dimethylbutan-2-ylamino)-1-(4-methoxyphenyl)ethanol?
2-(3,3-dimethylbutan-2-ylamino)-1-(4-methoxyphenyl)ethanol has a molecular weight of 251.37 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutan-2-ylamino)-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 111333995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).