1-(2-amino-5-methylphenyl)butan-1-ol

C11H17NO — CID 112541135

IUPAC1-(2-amino-5-methylphenyl)butan-1-ol
SMILESCCCC(O)c1cc(C)ccc1N
InChIInChI=1S/C11H17NO/c1-3-4-11(13)9-7-8(2)5-6-10(9)12/h5-7,11,13H,3-4,12H2,1-2H3
InChIKeyUQHWBUHPGCHOOL-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.41
Rot. Bonds3

About 1-(2-amino-5-methylphenyl)butan-1-ol

1-(2-amino-5-methylphenyl)butan-1-ol (PubChem CID 112541135) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-(2-amino-5-methylphenyl)butan-1-ol.

Molecular Properties

Compound Name1-(2-amino-5-methylphenyl)butan-1-ol
PubChem CID112541135
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-(2-amino-5-methylphenyl)butan-1-ol
SMILESCCCC(O)c1cc(C)ccc1N
InChIInChI=1S/C11H17NO/c1-3-4-11(13)9-7-8(2)5-6-10(9)12/h5-7,11,13H,3-4,12H2,1-2H3
InChIKeyUQHWBUHPGCHOOL-UHFFFAOYSA-N
XLogP2.41
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-5-methoxyphenyl)butan-1-ol
CID 112541122
1-(2-ethyl-4-methylphenyl)butan-1-ol
CID 167052415
1-(4-amino-3-methylphenyl)butan-1-ol
CID 164664307
1-(2-amino-5-bromophenyl)hexan-1-ol
CID 82703402
(2-amino-5-methylphenyl)-(4-methylphenyl)methanol
CID 105484727
1-(2-amino-5-bromophenyl)undecan-1-ol
CID 82703415
2-[(1R)-1-hydroxyundecyl]-4-methylphenol
CID 98151788
1-(2-methoxy-5-methylphenyl)pentan-1-ol
CID 61080930
1-(2-fluoro-5-methylphenyl)undecan-1-ol
CID 115789089
butane;4-methylbenzene-1,2-diamine
CID 138693326
ethane;1-(4-methylphenyl)butan-1-ol
CID 143727962
4-(2-amino-5-methylphenyl)-3,4-dihydroxybutanamide
CID 171898906

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-methylphenyl)butan-1-ol?
The IUPAC name of 1-(2-amino-5-methylphenyl)butan-1-ol (CID 112541135) is 1-(2-amino-5-methylphenyl)butan-1-ol.
What is the SMILES notation for 1-(2-amino-5-methylphenyl)butan-1-ol?
The canonical SMILES for 1-(2-amino-5-methylphenyl)butan-1-ol is CCCC(O)c1cc(C)ccc1N.
What is the InChIKey of 1-(2-amino-5-methylphenyl)butan-1-ol?
The InChIKey is UQHWBUHPGCHOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-4-11(13)9-7-8(2)5-6-10(9)12/h5-7,11,13H,3-4,12H2,1-2H3.
What are the key properties of 1-(2-amino-5-methylphenyl)butan-1-ol?
1-(2-amino-5-methylphenyl)butan-1-ol has a molecular weight of 179.26 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-methylphenyl)butan-1-ol is sourced from PubChem (CID 112541135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).