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

C11H17NO — CID 66581739

IUPAC1-amino-4-(3-methylphenyl)butan-2-ol
SMILESCc1cccc(CCC(O)CN)c1
InChIInChI=1S/C11H17NO/c1-9-3-2-4-10(7-9)5-6-11(13)8-12/h2-4,7,11,13H,5-6,8,12H2,1H3
InChIKeySHTDHTNTKMMATL-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.25
Rot. Bonds4

About 1-amino-4-(3-methylphenyl)butan-2-ol

1-amino-4-(3-methylphenyl)butan-2-ol (PubChem CID 66581739) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-amino-4-(3-methylphenyl)butan-2-ol.

Molecular Properties

Compound Name1-amino-4-(3-methylphenyl)butan-2-ol
PubChem CID66581739
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-amino-4-(3-methylphenyl)butan-2-ol
SMILESCc1cccc(CCC(O)CN)c1
InChIInChI=1S/C11H17NO/c1-9-3-2-4-10(7-9)5-6-11(13)8-12/h2-4,7,11,13H,5-6,8,12H2,1H3
InChIKeySHTDHTNTKMMATL-UHFFFAOYSA-N
XLogP1.25
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-methylphenyl)-1-phenylbutan-2-ol
CID 63016612
4-(aminomethyl)-5-methyl-1-(3-methylphenyl)hexan-3-ol
CID 65185744
1-ethoxy-4-(3-methylphenyl)butan-2-ol
CID 105111845
1-(3-methylphenyl)nonan-3-ol
CID 105085389
1-(3,4-dimethylphenyl)-4-(3-methylphenyl)butan-2-ol
CID 63520342
1-amino-4-(3-ethoxyphenyl)butan-2-ol
CID 112517753
1,3-bis(3-methylphenyl)propan-1-ol
CID 105077889
1-amino-5-(3-methylphenyl)-2-thiophen-2-ylpentan-3-ol
CID 65190297
ethane;methanol;1-methyl-3-(3-methylbutyl)benzene
CID 144705800
6-(3-methylphenyl)hexan-3-ol
CID 64513249
1,4-bis(3-methylphenyl)butan-2-amine
CID 62390102
2-(3-methylphenyl)ethanamine;hydrochloride
CID 47003273

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(3-methylphenyl)butan-2-ol?
The IUPAC name of 1-amino-4-(3-methylphenyl)butan-2-ol (CID 66581739) is 1-amino-4-(3-methylphenyl)butan-2-ol.
What is the SMILES notation for 1-amino-4-(3-methylphenyl)butan-2-ol?
The canonical SMILES for 1-amino-4-(3-methylphenyl)butan-2-ol is Cc1cccc(CCC(O)CN)c1.
What is the InChIKey of 1-amino-4-(3-methylphenyl)butan-2-ol?
The InChIKey is SHTDHTNTKMMATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-9-3-2-4-10(7-9)5-6-11(13)8-12/h2-4,7,11,13H,5-6,8,12H2,1H3.
What are the key properties of 1-amino-4-(3-methylphenyl)butan-2-ol?
1-amino-4-(3-methylphenyl)butan-2-ol has a molecular weight of 179.26 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(3-methylphenyl)butan-2-ol is sourced from PubChem (CID 66581739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).