2-amino-1,1-bis(5-tert-butyl-2-methoxyphenyl)-4-methylpentan-1-ol

C28H43NO3 — CID 139698065

IUPAC2-amino-1,1-bis(5-tert-butyl-2-methoxyphenyl)-4-methylpentan-1-ol
SMILESCOc1ccc(C(C)(C)C)cc1C(O)(c1cc(C(C)(C)C)ccc1OC)C(N)CC(C)C
InChIInChI=1S/C28H43NO3/c1-18(2)15-25(29)28(30,21-16-19(26(3,4)5)11-13-23(21)31-9)22-17-20(27(6,7)8)12-14-24(22)32-10/h11-14,16-18,25,30H,15,29H2,1-10H3
InChIKeyOPDROECQDPULIO-UHFFFAOYSA-N
MW441.66 g/mol
LogP5.91
Rot. Bonds7

About 2-amino-1,1-bis(5-tert-butyl-2-methoxyphenyl)-4-methylpentan-1-ol

2-amino-1,1-bis(5-tert-butyl-2-methoxyphenyl)-4-methylpentan-1-ol (PubChem CID 139698065) has the molecular formula C28H43NO3 and a molecular weight of 441.66 g/mol. Its IUPAC name is 2-amino-1,1-bis(5-tert-butyl-2-methoxyphenyl)-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-amino-1,1-bis(5-tert-butyl-2-methoxyphenyl)-4-methylpentan-1-ol
PubChem CID139698065
Molecular FormulaC28H43NO3
Molecular Weight441.66 g/mol
Exact Mass441.32
IUPAC Name2-amino-1,1-bis(5-tert-butyl-2-methoxyphenyl)-4-methylpentan-1-ol
SMILESCOc1ccc(C(C)(C)C)cc1C(O)(c1cc(C(C)(C)C)ccc1OC)C(N)CC(C)C
InChIInChI=1S/C28H43NO3/c1-18(2)15-25(29)28(30,21-16-19(26(3,4)5)11-13-23(21)31-9)22-17-20(27(6,7)8)12-14-24(22)32-10/h11-14,16-18,25,30H,15,29H2,1-10H3
InChIKeyOPDROECQDPULIO-UHFFFAOYSA-N
XLogP5.91
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.66
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-2-(5-tert-butyl-2-methoxyphenyl)propan-2-ol
CID 82049197
ethyl 2-amino-2-(5-tert-butyl-2-methoxyphenyl)butanoate
CID 3261124
1-N-(5-tert-butyl-2-methoxyphenyl)propane-1,2-diamine
CID 115196249
(2R)-2-amino-4-methyl-1,1-bis(2-methylphenyl)pentan-1-ol
CID 22084889
2-(3-tert-butyl-4-methoxyphenyl)-2-methylpropan-1-ol
CID 82129591
2-[2-[(1R,2R)-1-(5-tert-butyl-2-methoxyphenyl)-2-(dimethylamino)-1-hydroxypropyl]phenoxy]acetamide
CID 5487455
(2R)-2-amino-2-(5-tert-butyl-2-methoxyphenyl)ethanol
CID 66514274
3-amino-3-(5-tert-butyl-2-methoxyphenyl)butanoic acid
CID 82160103
2-(5-tert-butyl-2-methoxyphenyl)-2-methylpropanoic acid
CID 82131491
2-(3-tert-butyl-4-methoxyphenyl)-4-methylpentan-1-amine
CID 112509381
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 2-amino-1,1-bis(5-tert-butyl-2-methoxyphenyl)-4-methylpentan-1-ol?
The IUPAC name of 2-amino-1,1-bis(5-tert-butyl-2-methoxyphenyl)-4-methylpentan-1-ol (CID 139698065) is 2-amino-1,1-bis(5-tert-butyl-2-methoxyphenyl)-4-methylpentan-1-ol.
What is the SMILES notation for 2-amino-1,1-bis(5-tert-butyl-2-methoxyphenyl)-4-methylpentan-1-ol?
The canonical SMILES for 2-amino-1,1-bis(5-tert-butyl-2-methoxyphenyl)-4-methylpentan-1-ol is COc1ccc(C(C)(C)C)cc1C(O)(c1cc(C(C)(C)C)ccc1OC)C(N)CC(C)C.
What is the InChIKey of 2-amino-1,1-bis(5-tert-butyl-2-methoxyphenyl)-4-methylpentan-1-ol?
The InChIKey is OPDROECQDPULIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H43NO3/c1-18(2)15-25(29)28(30,21-16-19(26(3,4)5)11-13-23(21)31-9)22-17-20(27(6,7)8)12-14-24(22)32-10/h11-14,16-18,25,30H,15,29H2,1-10H3.
What are the key properties of 2-amino-1,1-bis(5-tert-butyl-2-methoxyphenyl)-4-methylpentan-1-ol?
2-amino-1,1-bis(5-tert-butyl-2-methoxyphenyl)-4-methylpentan-1-ol has a molecular weight of 441.66 g/mol, XLogP of 5.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,1-bis(5-tert-butyl-2-methoxyphenyl)-4-methylpentan-1-ol is sourced from PubChem (CID 139698065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).