1-(5-tert-butyl-2-methoxyphenyl)-2-(methylamino)butan-1-ol

C16H27NO2 — CID 82315534

IUPAC1-(5-tert-butyl-2-methoxyphenyl)-2-(methylamino)butan-1-ol
SMILESCCC(NC)C(O)c1cc(C(C)(C)C)ccc1OC
InChIInChI=1S/C16H27NO2/c1-7-13(17-5)15(18)12-10-11(16(2,3)4)8-9-14(12)19-6/h8-10,13,15,17-18H,7H2,1-6H3
InChIKeyNGUNULCKYVBQDL-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.02
Rot. Bonds5

About 1-(5-tert-butyl-2-methoxyphenyl)-2-(methylamino)butan-1-ol

1-(5-tert-butyl-2-methoxyphenyl)-2-(methylamino)butan-1-ol (PubChem CID 82315534) 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-(methylamino)butan-1-ol.

Molecular Properties

Compound Name1-(5-tert-butyl-2-methoxyphenyl)-2-(methylamino)butan-1-ol
PubChem CID82315534
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(5-tert-butyl-2-methoxyphenyl)-2-(methylamino)butan-1-ol
SMILESCCC(NC)C(O)c1cc(C(C)(C)C)ccc1OC
InChIInChI=1S/C16H27NO2/c1-7-13(17-5)15(18)12-10-11(16(2,3)4)8-9-14(12)19-6/h8-10,13,15,17-18H,7H2,1-6H3
InChIKeyNGUNULCKYVBQDL-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-(5-tert-butyl-2-methoxyphenyl)-1-hydroxybutan-2-one
CID 116835810
1-(5-tert-butyl-2-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine
CID 116947893
1-(5-tert-butyl-2-methoxyphenyl)-2-(prop-2-enylamino)propan-1-ol
CID 82315532
1-(5-tert-butyl-2-methoxyphenyl)-2-(propan-2-ylamino)ethanol
CID 112510982
(5-tert-butyl-2-methoxyphenyl)-phenylmethanol
CID 171366960
(2R)-2-amino-2-(5-tert-butyl-2-methoxyphenyl)ethanol
CID 66514274
1-(5-tert-butyl-2-methoxyphenyl)ethanethiol
CID 116866684
1-(5-tert-butyl-2-methoxyphenyl)-N'-methylbutane-1,4-diamine
CID 116933842
2-amino-2-(5-tert-butyl-2-methoxyphenyl)-N-methylacetamide
CID 116850378
4-(2,5-dimethoxyphenyl)-4-hydroxy-3-(methylamino)butanoic acid
CID 82348737
amino-(5-tert-butyl-2-methoxyphenyl)methanethiol
CID 116939444
1-(5-tert-butyl-2-methoxyphenyl)propan-2-ol
CID 117318705

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2-methoxyphenyl)-2-(methylamino)butan-1-ol?
The IUPAC name of 1-(5-tert-butyl-2-methoxyphenyl)-2-(methylamino)butan-1-ol (CID 82315534) is 1-(5-tert-butyl-2-methoxyphenyl)-2-(methylamino)butan-1-ol.
What is the SMILES notation for 1-(5-tert-butyl-2-methoxyphenyl)-2-(methylamino)butan-1-ol?
The canonical SMILES for 1-(5-tert-butyl-2-methoxyphenyl)-2-(methylamino)butan-1-ol is CCC(NC)C(O)c1cc(C(C)(C)C)ccc1OC.
What is the InChIKey of 1-(5-tert-butyl-2-methoxyphenyl)-2-(methylamino)butan-1-ol?
The InChIKey is NGUNULCKYVBQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-7-13(17-5)15(18)12-10-11(16(2,3)4)8-9-14(12)19-6/h8-10,13,15,17-18H,7H2,1-6H3.
What are the key properties of 1-(5-tert-butyl-2-methoxyphenyl)-2-(methylamino)butan-1-ol?
1-(5-tert-butyl-2-methoxyphenyl)-2-(methylamino)butan-1-ol 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-(methylamino)butan-1-ol is sourced from PubChem (CID 82315534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).