1-[(3,4-dimethylphenyl)methylamino]propan-2-ol

C12H19NO — CID 43220826

IUPAC1-[(3,4-dimethylphenyl)methylamino]propan-2-ol
SMILESCc1ccc(CNCC(C)O)cc1C
InChIInChI=1S/C12H19NO/c1-9-4-5-12(6-10(9)2)8-13-7-11(3)14/h4-6,11,13-14H,7-8H2,1-3H3
InChIKeyYFCMMYPPRHQZQF-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.77
Rot. Bonds4

About 1-[(3,4-dimethylphenyl)methylamino]propan-2-ol

1-[(3,4-dimethylphenyl)methylamino]propan-2-ol (PubChem CID 43220826) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-[(3,4-dimethylphenyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(3,4-dimethylphenyl)methylamino]propan-2-ol
PubChem CID43220826
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-[(3,4-dimethylphenyl)methylamino]propan-2-ol
SMILESCc1ccc(CNCC(C)O)cc1C
InChIInChI=1S/C12H19NO/c1-9-4-5-12(6-10(9)2)8-13-7-11(3)14/h4-6,11,13-14H,7-8H2,1-3H3
InChIKeyYFCMMYPPRHQZQF-UHFFFAOYSA-N
XLogP1.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[(4-bromo-3-methylphenyl)methylamino]propan-2-ol
CID 95932159
(2S)-N-[(3,4-dimethylphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 59084994
1-[(4-methylphenyl)methylamino]propan-2-ol;hydrochloride
CID 17290382
2-[[(3,4-dimethylphenyl)methylamino]methyl]butan-1-ol
CID 115250742
2-(3,4-dimethylphenyl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide
CID 104593635
1-[(3,4-dichlorophenyl)methylamino]propan-2-ol;hydrochloride
CID 17293833
N-[(3,4-dimethylphenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 54899736
1-[(4-propan-2-ylphenyl)methylamino]propan-2-ol
CID 4723365
(2R,3S)-3-amino-1-[(3,4-dimethylphenyl)methylamino]-4-phenylbutan-2-ol
CID 68608839
1-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 43391975
(2R)-1-[(3-methoxy-4-methylsulfanylphenyl)methylamino]propan-2-ol
CID 103884180
(2S)-1-(benzylamino)propan-2-ol
CID 964914

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethylphenyl)methylamino]propan-2-ol?
The IUPAC name of 1-[(3,4-dimethylphenyl)methylamino]propan-2-ol (CID 43220826) is 1-[(3,4-dimethylphenyl)methylamino]propan-2-ol.
What is the SMILES notation for 1-[(3,4-dimethylphenyl)methylamino]propan-2-ol?
The canonical SMILES for 1-[(3,4-dimethylphenyl)methylamino]propan-2-ol is Cc1ccc(CNCC(C)O)cc1C.
What is the InChIKey of 1-[(3,4-dimethylphenyl)methylamino]propan-2-ol?
The InChIKey is YFCMMYPPRHQZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-9-4-5-12(6-10(9)2)8-13-7-11(3)14/h4-6,11,13-14H,7-8H2,1-3H3.
What are the key properties of 1-[(3,4-dimethylphenyl)methylamino]propan-2-ol?
1-[(3,4-dimethylphenyl)methylamino]propan-2-ol has a molecular weight of 193.29 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethylphenyl)methylamino]propan-2-ol is sourced from PubChem (CID 43220826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).