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

C15H25NO — CID 116960127

IUPAC2-[(2,4-dimethylphenyl)-(methylamino)methyl]-3-methylbutan-1-ol
SMILESCNC(c1ccc(C)cc1C)C(CO)C(C)C
InChIInChI=1S/C15H25NO/c1-10(2)14(9-17)15(16-5)13-7-6-11(3)8-12(13)4/h6-8,10,14-17H,9H2,1-5H3
InChIKeyOIAXGHBXAIXITA-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.83
Rot. Bonds5

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

2-[(2,4-dimethylphenyl)-(methylamino)methyl]-3-methylbutan-1-ol (PubChem CID 116960127) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-[(2,4-dimethylphenyl)-(methylamino)methyl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(2,4-dimethylphenyl)-(methylamino)methyl]-3-methylbutan-1-ol
PubChem CID116960127
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-[(2,4-dimethylphenyl)-(methylamino)methyl]-3-methylbutan-1-ol
SMILESCNC(c1ccc(C)cc1C)C(CO)C(C)C
InChIInChI=1S/C15H25NO/c1-10(2)14(9-17)15(16-5)13-7-6-11(3)8-12(13)4/h6-8,10,14-17H,9H2,1-5H3
InChIKeyOIAXGHBXAIXITA-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-[methylamino-(6-methyl-1,3-benzodioxol-5-yl)methyl]butan-1-ol
CID 116960192
2-[(2-bromophenyl)-(methylamino)methyl]-3-methylbutan-1-ol
CID 116960199
methyl 2-[(2,4-dimethylphenyl)-(methylamino)methyl]butanoate
CID 116960404
(2S)-2-amino-2-(2,4-dimethylphenyl)ethanol
CID 42579716
2,3-diamino-3-(2,4-dimethylphenyl)propan-1-ol
CID 116942340
N,N'-dimethyl-2-propan-2-yl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine
CID 116960352
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]hydroxylamine
CID 130067534
1-bromo-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 116961880
(2S)-2-(2,5-dimethylphenyl)-2-(methylamino)ethanol
CID 55276234
1-(2,4-dimethylphenyl)-3-[(1S)-1-(2,4-dimethylphenyl)-2-methylpropyl]thiourea
CID 100746365
1-(2,4-dimethylphenyl)-3-[(1R)-1-(2,4-dimethylphenyl)-2-methylpropyl]thiourea
CID 100746361
3-[1-(2,4-dimethylphenyl)ethylamino]butan-1-ol
CID 81339355

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylphenyl)-(methylamino)methyl]-3-methylbutan-1-ol?
The IUPAC name of 2-[(2,4-dimethylphenyl)-(methylamino)methyl]-3-methylbutan-1-ol (CID 116960127) is 2-[(2,4-dimethylphenyl)-(methylamino)methyl]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[(2,4-dimethylphenyl)-(methylamino)methyl]-3-methylbutan-1-ol?
The canonical SMILES for 2-[(2,4-dimethylphenyl)-(methylamino)methyl]-3-methylbutan-1-ol is CNC(c1ccc(C)cc1C)C(CO)C(C)C.
What is the InChIKey of 2-[(2,4-dimethylphenyl)-(methylamino)methyl]-3-methylbutan-1-ol?
The InChIKey is OIAXGHBXAIXITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-10(2)14(9-17)15(16-5)13-7-6-11(3)8-12(13)4/h6-8,10,14-17H,9H2,1-5H3.
What are the key properties of 2-[(2,4-dimethylphenyl)-(methylamino)methyl]-3-methylbutan-1-ol?
2-[(2,4-dimethylphenyl)-(methylamino)methyl]-3-methylbutan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylphenyl)-(methylamino)methyl]-3-methylbutan-1-ol is sourced from PubChem (CID 116960127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).