1-amino-4-(3,5-ditert-butyl-4-methoxyphenyl)butan-2-ol

C19H33NO2 — CID 83938613

IUPAC1-amino-4-(3,5-ditert-butyl-4-methoxyphenyl)butan-2-ol
SMILESCOc1c(C(C)(C)C)cc(CCC(O)CN)cc1C(C)(C)C
InChIInChI=1S/C19H33NO2/c1-18(2,3)15-10-13(8-9-14(21)12-20)11-16(17(15)22-7)19(4,5)6/h10-11,14,21H,8-9,12,20H2,1-7H3
InChIKeyKPCCRJIBFOEYNU-UHFFFAOYSA-N
MW307.48 g/mol
LogP3.54
Rot. Bonds5

About 1-amino-4-(3,5-ditert-butyl-4-methoxyphenyl)butan-2-ol

1-amino-4-(3,5-ditert-butyl-4-methoxyphenyl)butan-2-ol (PubChem CID 83938613) has the molecular formula C19H33NO2 and a molecular weight of 307.48 g/mol. Its IUPAC name is 1-amino-4-(3,5-ditert-butyl-4-methoxyphenyl)butan-2-ol.

Molecular Properties

Compound Name1-amino-4-(3,5-ditert-butyl-4-methoxyphenyl)butan-2-ol
PubChem CID83938613
Molecular FormulaC19H33NO2
Molecular Weight307.48 g/mol
Exact Mass307.25
IUPAC Name1-amino-4-(3,5-ditert-butyl-4-methoxyphenyl)butan-2-ol
SMILESCOc1c(C(C)(C)C)cc(CCC(O)CN)cc1C(C)(C)C
InChIInChI=1S/C19H33NO2/c1-18(2,3)15-10-13(8-9-14(21)12-20)11-16(17(15)22-7)19(4,5)6/h10-11,14,21H,8-9,12,20H2,1-7H3
InChIKeyKPCCRJIBFOEYNU-UHFFFAOYSA-N
XLogP3.54
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3,5-ditert-butyl-4-methoxyphenyl)ethyl]propane-1,3-diol
CID 83938580
1-amino-4-(3,5-dichloro-4-methoxyphenyl)butan-2-ol
CID 83928675
(2S)-1-amino-4-(3-tert-butyl-4-fluorophenyl)butan-2-ol
CID 90210106
3-(3,5-ditert-butyl-4-methoxyphenyl)propanethioamide
CID 83938576
1-amino-3-(3-tert-butyl-4-methoxyphenyl)propan-2-ol
CID 116859135
2,6-ditert-butyl-4-(3-hydroxypentyl)phenol
CID 21395972
N-(2-aminoethyl)-3-(3,5-ditert-butyl-4-methoxyphenyl)propanamide
CID 22104700
1,3-ditert-butyl-5-ethyl-2-methoxybenzene;ethane
CID 143616670
3-(3,5-ditert-butyl-4-methoxyphenyl)-2-methylpropanethioamide
CID 83938578
1-amino-4-(2-methoxy-3-methylphenyl)butan-2-ol
CID 82395060
(2S)-1-amino-4-(3,5-difluorophenyl)butan-2-ol
CID 95438340
1-amino-4-(3-tert-butyl-2-methoxy-5-methylphenyl)hexan-2-ol
CID 83943002

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(3,5-ditert-butyl-4-methoxyphenyl)butan-2-ol?
The IUPAC name of 1-amino-4-(3,5-ditert-butyl-4-methoxyphenyl)butan-2-ol (CID 83938613) is 1-amino-4-(3,5-ditert-butyl-4-methoxyphenyl)butan-2-ol.
What is the SMILES notation for 1-amino-4-(3,5-ditert-butyl-4-methoxyphenyl)butan-2-ol?
The canonical SMILES for 1-amino-4-(3,5-ditert-butyl-4-methoxyphenyl)butan-2-ol is COc1c(C(C)(C)C)cc(CCC(O)CN)cc1C(C)(C)C.
What is the InChIKey of 1-amino-4-(3,5-ditert-butyl-4-methoxyphenyl)butan-2-ol?
The InChIKey is KPCCRJIBFOEYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO2/c1-18(2,3)15-10-13(8-9-14(21)12-20)11-16(17(15)22-7)19(4,5)6/h10-11,14,21H,8-9,12,20H2,1-7H3.
What are the key properties of 1-amino-4-(3,5-ditert-butyl-4-methoxyphenyl)butan-2-ol?
1-amino-4-(3,5-ditert-butyl-4-methoxyphenyl)butan-2-ol has a molecular weight of 307.48 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(3,5-ditert-butyl-4-methoxyphenyl)butan-2-ol is sourced from PubChem (CID 83938613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).