3-amino-1-(3,5-dimethylphenyl)-2-methylpropan-1-ol

C12H19NO — CID 65190666

IUPAC3-amino-1-(3,5-dimethylphenyl)-2-methylpropan-1-ol
SMILESCc1cc(C)cc(C(O)C(C)CN)c1
InChIInChI=1S/C12H19NO/c1-8-4-9(2)6-11(5-8)12(14)10(3)7-13/h4-6,10,12,14H,7,13H2,1-3H3
InChIKeyFBBJYWNAHBWMBJ-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.93
Rot. Bonds3

About 3-amino-1-(3,5-dimethylphenyl)-2-methylpropan-1-ol

3-amino-1-(3,5-dimethylphenyl)-2-methylpropan-1-ol (PubChem CID 65190666) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-amino-1-(3,5-dimethylphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3,5-dimethylphenyl)-2-methylpropan-1-ol
PubChem CID65190666
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3-amino-1-(3,5-dimethylphenyl)-2-methylpropan-1-ol
SMILESCc1cc(C)cc(C(O)C(C)CN)c1
InChIInChI=1S/C12H19NO/c1-8-4-9(2)6-11(5-8)12(14)10(3)7-13/h4-6,10,12,14H,7,13H2,1-3H3
InChIKeyFBBJYWNAHBWMBJ-UHFFFAOYSA-N
XLogP1.93
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(1R,2S)-1,2-bis(3,5-dimethylphenyl)ethane-1,2-diol
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3-amino-1-(3-bromo-5-methylphenyl)propane-1,2-diol
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2-(3,5-dimethylphenyl)propan-1-amine
CID 79003874
3-amino-2-methyl-1-(4-methylfuran-2-yl)propan-1-ol
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3-amino-1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)propan-1-ol
CID 65185730
1-(3,5-dimethylphenyl)-2-ethylbutan-1-ol
CID 63894692
3-amino-1-(3,5-dimethylphenyl)-2-(2-methylphenyl)propan-1-ol
CID 65186415
1-(3-amino-5-methylphenyl)-3-chloropropane-1,2-diol
CID 171861773
(1R,2R)-1-amino-1-(3,5-dimethylphenyl)propan-2-ol
CID 130921857
(1R,2S)-1-amino-1-(3,5-dimethylphenyl)propan-2-ol
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4-bromo-1-(3,5-dimethylphenyl)butane-1,2-diol
CID 171891556

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3,5-dimethylphenyl)-2-methylpropan-1-ol?
The IUPAC name of 3-amino-1-(3,5-dimethylphenyl)-2-methylpropan-1-ol (CID 65190666) is 3-amino-1-(3,5-dimethylphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 3-amino-1-(3,5-dimethylphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 3-amino-1-(3,5-dimethylphenyl)-2-methylpropan-1-ol is Cc1cc(C)cc(C(O)C(C)CN)c1.
What is the InChIKey of 3-amino-1-(3,5-dimethylphenyl)-2-methylpropan-1-ol?
The InChIKey is FBBJYWNAHBWMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-8-4-9(2)6-11(5-8)12(14)10(3)7-13/h4-6,10,12,14H,7,13H2,1-3H3.
What are the key properties of 3-amino-1-(3,5-dimethylphenyl)-2-methylpropan-1-ol?
3-amino-1-(3,5-dimethylphenyl)-2-methylpropan-1-ol has a molecular weight of 193.29 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3,5-dimethylphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 65190666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).