2-amino-4-[4-(4-butylphenyl)phenyl]-2-methylbutan-1-ol

C21H29NO — CID 69430601

IUPAC2-amino-4-[4-(4-butylphenyl)phenyl]-2-methylbutan-1-ol
SMILESCCCCc1ccc(-c2ccc(CCC(C)(N)CO)cc2)cc1
InChIInChI=1S/C21H29NO/c1-3-4-5-17-6-10-19(11-7-17)20-12-8-18(9-13-20)14-15-21(2,22)16-23/h6-13,23H,3-5,14-16,22H2,1-2H3
InChIKeyFEENOPJEZJCFMA-UHFFFAOYSA-N
MW311.47 g/mol
LogP4.34
Rot. Bonds8

About 2-amino-4-[4-(4-butylphenyl)phenyl]-2-methylbutan-1-ol

2-amino-4-[4-(4-butylphenyl)phenyl]-2-methylbutan-1-ol (PubChem CID 69430601) has the molecular formula C21H29NO and a molecular weight of 311.47 g/mol. Its IUPAC name is 2-amino-4-[4-(4-butylphenyl)phenyl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-amino-4-[4-(4-butylphenyl)phenyl]-2-methylbutan-1-ol
PubChem CID69430601
Molecular FormulaC21H29NO
Molecular Weight311.47 g/mol
Exact Mass311.22
IUPAC Name2-amino-4-[4-(4-butylphenyl)phenyl]-2-methylbutan-1-ol
SMILESCCCCc1ccc(-c2ccc(CCC(C)(N)CO)cc2)cc1
InChIInChI=1S/C21H29NO/c1-3-4-5-17-6-10-19(11-7-17)20-12-8-18(9-13-20)14-15-21(2,22)16-23/h6-13,23H,3-5,14-16,22H2,1-2H3
InChIKeyFEENOPJEZJCFMA-UHFFFAOYSA-N
XLogP4.34
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 22618767
(2S)-2-amino-2-methyl-4-(4-nonoxyphenyl)butan-1-ol
CID 132916636
(2R)-2-amino-4-(4-heptoxyphenyl)-2-methylbutan-1-ol;hydrochloride
CID 45261292
2-amino-3-(4-butylphenoxy)-2-methylpropan-1-ol
CID 113322785
(2R)-2-amino-2-methyl-4-[4-[4-(2-propyl-1,3-oxazol-4-yl)phenyl]phenyl]butan-1-ol
CID 162653390
2-amino-2-[2-(4-decylphenyl)ethyl]propane-1,3-diol
CID 10595435
2-amino-2-[2-(4-heptylphenyl)ethyl]propane-1,3-diol;hydrochloride
CID 45261202
3-amino-3-(4-butylphenyl)butan-1-ol
CID 112513147
2-amino-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol;hydrate
CID 46203920
2-amino-2-methyl-4-[5-[2-(4-phenylphenyl)ethyl]thiophen-2-yl]butan-1-ol
CID 22279732
(2R)-2-amino-4-[4-[3-(4-methoxyphenyl)propoxy]phenyl]-2-methylbutan-1-ol
CID 59655604
2-amino-2-methyl-4-(5-octylthiophen-2-yl)butan-1-ol
CID 139907975

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-(4-butylphenyl)phenyl]-2-methylbutan-1-ol?
The IUPAC name of 2-amino-4-[4-(4-butylphenyl)phenyl]-2-methylbutan-1-ol (CID 69430601) is 2-amino-4-[4-(4-butylphenyl)phenyl]-2-methylbutan-1-ol.
What is the SMILES notation for 2-amino-4-[4-(4-butylphenyl)phenyl]-2-methylbutan-1-ol?
The canonical SMILES for 2-amino-4-[4-(4-butylphenyl)phenyl]-2-methylbutan-1-ol is CCCCc1ccc(-c2ccc(CCC(C)(N)CO)cc2)cc1.
What is the InChIKey of 2-amino-4-[4-(4-butylphenyl)phenyl]-2-methylbutan-1-ol?
The InChIKey is FEENOPJEZJCFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO/c1-3-4-5-17-6-10-19(11-7-17)20-12-8-18(9-13-20)14-15-21(2,22)16-23/h6-13,23H,3-5,14-16,22H2,1-2H3.
What are the key properties of 2-amino-4-[4-(4-butylphenyl)phenyl]-2-methylbutan-1-ol?
2-amino-4-[4-(4-butylphenyl)phenyl]-2-methylbutan-1-ol has a molecular weight of 311.47 g/mol, XLogP of 4.34, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-(4-butylphenyl)phenyl]-2-methylbutan-1-ol is sourced from PubChem (CID 69430601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).