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

C15H25NO — CID 112512257

IUPAC2-amino-1-(4-butylphenyl)-3-methylbutan-1-ol
SMILESCCCCc1ccc(C(O)C(N)C(C)C)cc1
InChIInChI=1S/C15H25NO/c1-4-5-6-12-7-9-13(10-8-12)15(17)14(16)11(2)3/h7-11,14-15,17H,4-6,16H2,1-3H3
InChIKeyBXGNSARFTVCRJE-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.05
Rot. Bonds6

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

2-amino-1-(4-butylphenyl)-3-methylbutan-1-ol (PubChem CID 112512257) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-amino-1-(4-butylphenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-amino-1-(4-butylphenyl)-3-methylbutan-1-ol
PubChem CID112512257
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-amino-1-(4-butylphenyl)-3-methylbutan-1-ol
SMILESCCCCc1ccc(C(O)C(N)C(C)C)cc1
InChIInChI=1S/C15H25NO/c1-4-5-6-12-7-9-13(10-8-12)15(17)14(16)11(2)3/h7-11,14-15,17H,4-6,16H2,1-3H3
InChIKeyBXGNSARFTVCRJE-UHFFFAOYSA-N
XLogP3.05
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(4-butylphenyl)propane-1,2-diol
CID 170828276
1-(4-butylphenyl)-3-chloropropane-1,2-diol
CID 171862284
2-amino-1-(4-octylphenyl)propane-1,3-diol
CID 135162597
2-amino-1-(4-butylphenyl)-4-(methylamino)butan-1-ol
CID 83921763
2-(4-butylphenyl)-3-methylbutan-1-amine
CID 112507875
1-butyl-4-propan-2-ylbenzene;hexane
CID 142937575
1-butyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;methane
CID 176687578
1-(4-hexylphenyl)-3-methyl-2-(methylamino)butan-1-ol
CID 82315751
(1S)-1-(4-hexylphenyl)ethanamine
CID 25324494
(1S)-1-(4-octylphenyl)ethanol
CID 67859464
1-(4-butylphenyl)butan-1-ol
CID 61088483
2-(4-butylphenyl)propanamide
CID 90926449

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-butylphenyl)-3-methylbutan-1-ol?
The IUPAC name of 2-amino-1-(4-butylphenyl)-3-methylbutan-1-ol (CID 112512257) is 2-amino-1-(4-butylphenyl)-3-methylbutan-1-ol.
What is the SMILES notation for 2-amino-1-(4-butylphenyl)-3-methylbutan-1-ol?
The canonical SMILES for 2-amino-1-(4-butylphenyl)-3-methylbutan-1-ol is CCCCc1ccc(C(O)C(N)C(C)C)cc1.
What is the InChIKey of 2-amino-1-(4-butylphenyl)-3-methylbutan-1-ol?
The InChIKey is BXGNSARFTVCRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-5-6-12-7-9-13(10-8-12)15(17)14(16)11(2)3/h7-11,14-15,17H,4-6,16H2,1-3H3.
What are the key properties of 2-amino-1-(4-butylphenyl)-3-methylbutan-1-ol?
2-amino-1-(4-butylphenyl)-3-methylbutan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-butylphenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 112512257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).