3-amino-2-(4-butylphenyl)-2-methylpropan-1-ol

C14H23NO — CID 112512078

IUPAC3-amino-2-(4-butylphenyl)-2-methylpropan-1-ol
SMILESCCCCc1ccc(C(C)(CN)CO)cc1
InChIInChI=1S/C14H23NO/c1-3-4-5-12-6-8-13(9-7-12)14(2,10-15)11-16/h6-9,16H,3-5,10-11,15H2,1-2H3
InChIKeyGBXXYZZYWJCULW-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.24
Rot. Bonds6

About 3-amino-2-(4-butylphenyl)-2-methylpropan-1-ol

3-amino-2-(4-butylphenyl)-2-methylpropan-1-ol (PubChem CID 112512078) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-amino-2-(4-butylphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-amino-2-(4-butylphenyl)-2-methylpropan-1-ol
PubChem CID112512078
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-amino-2-(4-butylphenyl)-2-methylpropan-1-ol
SMILESCCCCc1ccc(C(C)(CN)CO)cc1
InChIInChI=1S/C14H23NO/c1-3-4-5-12-6-8-13(9-7-12)14(2,10-15)11-16/h6-9,16H,3-5,10-11,15H2,1-2H3
InChIKeyGBXXYZZYWJCULW-UHFFFAOYSA-N
XLogP2.24
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-(4-butylphenyl)butan-1-ol
CID 112513147
2-(4-butylphenyl)-2-methylpropanamide
CID 70289793
1-butyl-4-[2-[4-(4-chlorobutyl)phenyl]propan-2-yl]benzene
CID 134339617
4-[2-(4-pentylphenyl)propan-2-yl]phenol
CID 174631363
2-amino-4-[4-(4-butylphenyl)phenyl]-2-methylbutan-1-ol
CID 69430601
1-tert-butyl-4-undecylbenzene
CID 162402478
3-[4-[2-[4-(3-hydroxypropyl)phenyl]propan-2-yl]phenyl]propan-1-ol
CID 54337384
1-butyl-4-methylbenzene;1-tert-butyl-4-methylbenzene;ethane
CID 164906830
4-butyl-N-(4-tert-butylphenyl)aniline
CID 70153981
N-tert-butyl-N-(4-butylphenyl)hydroxylamine
CID 165347149
2-amino-3-(4-butylphenoxy)-2-methylpropan-1-ol
CID 113322785
1-butyl-4-[2-(4-ethoxyphenyl)propan-2-yl]benzene
CID 54365174

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-butylphenyl)-2-methylpropan-1-ol?
The IUPAC name of 3-amino-2-(4-butylphenyl)-2-methylpropan-1-ol (CID 112512078) is 3-amino-2-(4-butylphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 3-amino-2-(4-butylphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 3-amino-2-(4-butylphenyl)-2-methylpropan-1-ol is CCCCc1ccc(C(C)(CN)CO)cc1.
What is the InChIKey of 3-amino-2-(4-butylphenyl)-2-methylpropan-1-ol?
The InChIKey is GBXXYZZYWJCULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-4-5-12-6-8-13(9-7-12)14(2,10-15)11-16/h6-9,16H,3-5,10-11,15H2,1-2H3.
What are the key properties of 3-amino-2-(4-butylphenyl)-2-methylpropan-1-ol?
3-amino-2-(4-butylphenyl)-2-methylpropan-1-ol has a molecular weight of 221.34 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-butylphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 112512078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).