4-amino-3-(3-methylphenyl)butan-2-ol

C11H17NO — CID 65187843

IUPAC4-amino-3-(3-methylphenyl)butan-2-ol
SMILESCc1cccc(C(CN)C(C)O)c1
InChIInChI=1S/C11H17NO/c1-8-4-3-5-10(6-8)11(7-12)9(2)13/h3-6,9,11,13H,7,12H2,1-2H3
InChIKeyJRSHADAMZBSVES-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.42
Rot. Bonds3

About 4-amino-3-(3-methylphenyl)butan-2-ol

4-amino-3-(3-methylphenyl)butan-2-ol (PubChem CID 65187843) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-amino-3-(3-methylphenyl)butan-2-ol.

Molecular Properties

Compound Name4-amino-3-(3-methylphenyl)butan-2-ol
PubChem CID65187843
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-amino-3-(3-methylphenyl)butan-2-ol
SMILESCc1cccc(C(CN)C(C)O)c1
InChIInChI=1S/C11H17NO/c1-8-4-3-5-10(6-8)11(7-12)9(2)13/h3-6,9,11,13H,7,12H2,1-2H3
InChIKeyJRSHADAMZBSVES-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-amino-1-(2,5-dimethylfuran-3-yl)-2-(3-methylphenyl)propan-1-ol
CID 65188216
3-amino-2-(2,6-dichlorophenyl)-1-(3-methylphenyl)propan-1-ol
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3-amino-1-(2,5-dibromophenyl)-2-(3-methylphenyl)propan-1-ol
CID 114376075
(2S)-3-amino-2-(3-methylphenyl)propan-1-ol
CID 86327369
3-amino-2-(3-methylphenyl)propan-1-ol
CID 46911824
3-amino-1-(3-chlorothiophen-2-yl)-2-(3-methylphenyl)propan-1-ol
CID 80642172
3-amino-1-(2-bromo-4-chlorophenyl)-2-(3-methylphenyl)propan-1-ol
CID 107994915
3-amino-2-(4-methoxyphenyl)-1-(3-methylphenyl)propan-1-ol
CID 65185753
2-(3-methylphenyl)heptane-1,3-diamine
CID 20848406

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3-methylphenyl)butan-2-ol?
The IUPAC name of 4-amino-3-(3-methylphenyl)butan-2-ol (CID 65187843) is 4-amino-3-(3-methylphenyl)butan-2-ol.
What is the SMILES notation for 4-amino-3-(3-methylphenyl)butan-2-ol?
The canonical SMILES for 4-amino-3-(3-methylphenyl)butan-2-ol is Cc1cccc(C(CN)C(C)O)c1.
What is the InChIKey of 4-amino-3-(3-methylphenyl)butan-2-ol?
The InChIKey is JRSHADAMZBSVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8-4-3-5-10(6-8)11(7-12)9(2)13/h3-6,9,11,13H,7,12H2,1-2H3.
What are the key properties of 4-amino-3-(3-methylphenyl)butan-2-ol?
4-amino-3-(3-methylphenyl)butan-2-ol has a molecular weight of 179.26 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3-methylphenyl)butan-2-ol is sourced from PubChem (CID 65187843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).