1-amino-4-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol

C15H25NO3 — CID 64812535

IUPAC1-amino-4-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol
SMILESCOc1ccc(OCCC(O)CN)c(C(C)(C)C)c1
InChIInChI=1S/C15H25NO3/c1-15(2,3)13-9-12(18-4)5-6-14(13)19-8-7-11(17)10-16/h5-6,9,11,17H,7-8,10,16H2,1-4H3
InChIKeyRFHPHDXZMSMWEB-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.08
Rot. Bonds6

About 1-amino-4-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol

1-amino-4-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol (PubChem CID 64812535) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-amino-4-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol.

Molecular Properties

Compound Name1-amino-4-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol
PubChem CID64812535
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-amino-4-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol
SMILESCOc1ccc(OCCC(O)CN)c(C(C)(C)C)c1
InChIInChI=1S/C15H25NO3/c1-15(2,3)13-9-12(18-4)5-6-14(13)19-8-7-11(17)10-16/h5-6,9,11,17H,7-8,10,16H2,1-4H3
InChIKeyRFHPHDXZMSMWEB-UHFFFAOYSA-N
XLogP2.08
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(2-tert-butyl-4-methoxyphenoxy)butan-1-ol
CID 64805134
2-amino-4-(2-tert-butyl-4-methoxyphenoxy)butanoic acid
CID 63039139
1-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol
CID 60879729
[(2S)-3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]-trimethylazanium
CID 100798601
5-(2-tert-butyl-4-methoxyphenoxy)-2,2-dimethylpentan-1-amine
CID 65256212
1-(3-bromopropoxy)-2-tert-butyl-4-methoxybenzene
CID 43135423
3-(2-tert-butyl-4-methoxyphenoxy)propanoic acid
CID 16771116
1-amino-4-(3,5-dimethoxyphenoxy)butan-2-ol
CID 64812927
(2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 2133971
1-(2-tert-butyl-4-methoxyphenoxy)-3-(ethylamino)propan-2-ol
CID 43090696
[(2R)-3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]-[(2R)-1-methoxypropan-2-yl]azanium
CID 2129327
1-(2-tert-butyl-4-methoxyphenoxy)butan-2-amine
CID 62038909

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol?
The IUPAC name of 1-amino-4-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol (CID 64812535) is 1-amino-4-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol.
What is the SMILES notation for 1-amino-4-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol?
The canonical SMILES for 1-amino-4-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol is COc1ccc(OCCC(O)CN)c(C(C)(C)C)c1.
What is the InChIKey of 1-amino-4-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol?
The InChIKey is RFHPHDXZMSMWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-15(2,3)13-9-12(18-4)5-6-14(13)19-8-7-11(17)10-16/h5-6,9,11,17H,7-8,10,16H2,1-4H3.
What are the key properties of 1-amino-4-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol?
1-amino-4-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol has a molecular weight of 267.37 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol is sourced from PubChem (CID 64812535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).