1-(5-tert-butyl-2-methoxyphenyl)-2-(propan-2-ylamino)ethanol

C16H27NO2 — CID 112510982

IUPAC1-(5-tert-butyl-2-methoxyphenyl)-2-(propan-2-ylamino)ethanol
SMILESCOc1ccc(C(C)(C)C)cc1C(O)CNC(C)C
InChIInChI=1S/C16H27NO2/c1-11(2)17-10-14(18)13-9-12(16(3,4)5)7-8-15(13)19-6/h7-9,11,14,17-18H,10H2,1-6H3
InChIKeyUMTRQDIHVWPCPT-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.02
Rot. Bonds5

About 1-(5-tert-butyl-2-methoxyphenyl)-2-(propan-2-ylamino)ethanol

1-(5-tert-butyl-2-methoxyphenyl)-2-(propan-2-ylamino)ethanol (PubChem CID 112510982) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(5-tert-butyl-2-methoxyphenyl)-2-(propan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-(5-tert-butyl-2-methoxyphenyl)-2-(propan-2-ylamino)ethanol
PubChem CID112510982
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(5-tert-butyl-2-methoxyphenyl)-2-(propan-2-ylamino)ethanol
SMILESCOc1ccc(C(C)(C)C)cc1C(O)CNC(C)C
InChIInChI=1S/C16H27NO2/c1-11(2)17-10-14(18)13-9-12(16(3,4)5)7-8-15(13)19-6/h7-9,11,14,17-18H,10H2,1-6H3
InChIKeyUMTRQDIHVWPCPT-UHFFFAOYSA-N
XLogP3.02
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-2-(methylamino)ethanol
CID 117473718
1-(5-tert-butyl-2-methoxyphenyl)ethanethiol
CID 116866684
1-(5-tert-butyl-2-methoxyphenyl)-2-(prop-2-enylamino)propan-1-ol
CID 82315532
2-(propan-2-ylamino)-1-(3,4,5-trimethoxyphenyl)ethanol
CID 62773539
1-(5-tert-butyl-2-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine
CID 116947893
1-(5-tert-butyl-2-methoxyphenyl)-2-(methylamino)butan-1-ol
CID 82315534
(2R)-2-amino-2-(5-tert-butyl-2-methoxyphenyl)ethanol
CID 66514274
(5-tert-butyl-2-methoxyphenyl)-phenylmethanol
CID 171366960
2-(tert-butylamino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60901325
1-(5-tert-butyl-2-methoxyphenyl)-1-hydroxybutan-2-one
CID 116835810
1-(2,5-dimethoxyphenyl)-2-(3-methylpentan-2-ylamino)ethanol
CID 61463357
1-(5-tert-butyl-2-methoxyphenyl)-N,N-dimethylethanamine
CID 116914596

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2-methoxyphenyl)-2-(propan-2-ylamino)ethanol?
The IUPAC name of 1-(5-tert-butyl-2-methoxyphenyl)-2-(propan-2-ylamino)ethanol (CID 112510982) is 1-(5-tert-butyl-2-methoxyphenyl)-2-(propan-2-ylamino)ethanol.
What is the SMILES notation for 1-(5-tert-butyl-2-methoxyphenyl)-2-(propan-2-ylamino)ethanol?
The canonical SMILES for 1-(5-tert-butyl-2-methoxyphenyl)-2-(propan-2-ylamino)ethanol is COc1ccc(C(C)(C)C)cc1C(O)CNC(C)C.
What is the InChIKey of 1-(5-tert-butyl-2-methoxyphenyl)-2-(propan-2-ylamino)ethanol?
The InChIKey is UMTRQDIHVWPCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-11(2)17-10-14(18)13-9-12(16(3,4)5)7-8-15(13)19-6/h7-9,11,14,17-18H,10H2,1-6H3.
What are the key properties of 1-(5-tert-butyl-2-methoxyphenyl)-2-(propan-2-ylamino)ethanol?
1-(5-tert-butyl-2-methoxyphenyl)-2-(propan-2-ylamino)ethanol has a molecular weight of 265.40 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2-methoxyphenyl)-2-(propan-2-ylamino)ethanol is sourced from PubChem (CID 112510982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).