1-(2,4-dimethylphenyl)-2-(2-methylpropylamino)propan-1-ol

C15H25NO — CID 82313439

IUPAC1-(2,4-dimethylphenyl)-2-(2-methylpropylamino)propan-1-ol
SMILESCc1ccc(C(O)C(C)NCC(C)C)c(C)c1
InChIInChI=1S/C15H25NO/c1-10(2)9-16-13(5)15(17)14-7-6-11(3)8-12(14)4/h6-8,10,13,15-17H,9H2,1-5H3
InChIKeyKSYYRBFJYNTVEM-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.97
Rot. Bonds5

About 1-(2,4-dimethylphenyl)-2-(2-methylpropylamino)propan-1-ol

1-(2,4-dimethylphenyl)-2-(2-methylpropylamino)propan-1-ol (PubChem CID 82313439) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-(2-methylpropylamino)propan-1-ol.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-(2-methylpropylamino)propan-1-ol
PubChem CID82313439
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(2,4-dimethylphenyl)-2-(2-methylpropylamino)propan-1-ol
SMILESCc1ccc(C(O)C(C)NCC(C)C)c(C)c1
InChIInChI=1S/C15H25NO/c1-10(2)9-16-13(5)15(17)14-7-6-11(3)8-12(14)4/h6-8,10,13,15-17H,9H2,1-5H3
InChIKeyKSYYRBFJYNTVEM-UHFFFAOYSA-N
XLogP2.97
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-2-(3-hydroxypropylamino)propan-1-ol
CID 82313434
2-[2-(dimethylamino)ethylamino]-1-(2,4-dimethylphenyl)propan-1-ol
CID 82313474
1-(2,4-dimethylphenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 65385194
1-(2,4-dimethylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 18767185
(1R,2S)-1-(2,4-dimethylphenyl)-2-nitropropan-1-ol
CID 101455721
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]hydroxylamine
CID 130067534
2-(butylamino)-1-(2,4-dimethylphenyl)-3-methylbutan-1-ol
CID 82313534
1-(4-fluoro-3-methylphenyl)-2-(2-methylpropylamino)propan-1-ol
CID 82315033
5-(2,5-dimethylphenyl)-5-hydroxy-4-(2-methylpropylamino)pentanoic acid
CID 82349627
1-(2,4-dimethylphenyl)-3-ethylpentane-1,2-diol
CID 103459685
1-(2,4-dimethylphenyl)pentane-1,2-diol
CID 103454853
(2S)-2-amino-N-[1-(2,4-dimethylphenyl)ethyl]propanamide
CID 61146836

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-(2-methylpropylamino)propan-1-ol?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-(2-methylpropylamino)propan-1-ol (CID 82313439) is 1-(2,4-dimethylphenyl)-2-(2-methylpropylamino)propan-1-ol.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-(2-methylpropylamino)propan-1-ol?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-(2-methylpropylamino)propan-1-ol is Cc1ccc(C(O)C(C)NCC(C)C)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-(2-methylpropylamino)propan-1-ol?
The InChIKey is KSYYRBFJYNTVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-10(2)9-16-13(5)15(17)14-7-6-11(3)8-12(14)4/h6-8,10,13,15-17H,9H2,1-5H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-(2-methylpropylamino)propan-1-ol?
1-(2,4-dimethylphenyl)-2-(2-methylpropylamino)propan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-(2-methylpropylamino)propan-1-ol is sourced from PubChem (CID 82313439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).