2-methyl-4-[(4-methylphenyl)methylamino]butan-2-ol

C13H21NO — CID 79360596

IUPAC2-methyl-4-[(4-methylphenyl)methylamino]butan-2-ol
SMILESCc1ccc(CNCCC(C)(C)O)cc1
InChIInChI=1S/C13H21NO/c1-11-4-6-12(7-5-11)10-14-9-8-13(2,3)15/h4-7,14-15H,8-10H2,1-3H3
InChIKeyWWFNPVFORYBYPM-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.25
Rot. Bonds5

About 2-methyl-4-[(4-methylphenyl)methylamino]butan-2-ol

2-methyl-4-[(4-methylphenyl)methylamino]butan-2-ol (PubChem CID 79360596) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-methyl-4-[(4-methylphenyl)methylamino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-[(4-methylphenyl)methylamino]butan-2-ol
PubChem CID79360596
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-methyl-4-[(4-methylphenyl)methylamino]butan-2-ol
SMILESCc1ccc(CNCCC(C)(C)O)cc1
InChIInChI=1S/C13H21NO/c1-11-4-6-12(7-5-11)10-14-9-8-13(2,3)15/h4-7,14-15H,8-10H2,1-3H3
InChIKeyWWFNPVFORYBYPM-UHFFFAOYSA-N
XLogP2.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylbutan-2-ol
CID 107230759
4-(benzylamino)-2-methylbutan-2-ol
CID 21242176
N-[(4-methylphenyl)methyl]ethanamine
CID 4716476
2-[(4-methylphenyl)methylamino]ethanethiol
CID 14306202
N-[(4-methylphenyl)methyl]-5-methylsulfanylpentan-1-amine
CID 104923086
1-(4-methylphenyl)-N-[[4-(4-methylphenyl)phenyl]methyl]methanamine
CID 171059943
4-[(2-methoxy-4-pyridinyl)methylamino]-2-methylbutan-2-ol
CID 79355566
6-iodo-N-[(4-methylphenyl)methyl]hexan-1-amine
CID 107844979
N-[(4-methylphenyl)methyl]octan-1-amine;hydrochloride
CID 17331169
N-[(4-methylphenyl)methyl]-2-(1,1,2,2,2-pentafluoroethylsulfanyl)ethanamine
CID 75530228
4,4-dimethyl-5-[(4-methylphenyl)methylamino]pentan-1-ol
CID 103897567
1-[2-[(4-methylphenyl)methylamino]ethylamino]propan-2-one
CID 21339507

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(4-methylphenyl)methylamino]butan-2-ol?
The IUPAC name of 2-methyl-4-[(4-methylphenyl)methylamino]butan-2-ol (CID 79360596) is 2-methyl-4-[(4-methylphenyl)methylamino]butan-2-ol.
What is the SMILES notation for 2-methyl-4-[(4-methylphenyl)methylamino]butan-2-ol?
The canonical SMILES for 2-methyl-4-[(4-methylphenyl)methylamino]butan-2-ol is Cc1ccc(CNCCC(C)(C)O)cc1.
What is the InChIKey of 2-methyl-4-[(4-methylphenyl)methylamino]butan-2-ol?
The InChIKey is WWFNPVFORYBYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-11-4-6-12(7-5-11)10-14-9-8-13(2,3)15/h4-7,14-15H,8-10H2,1-3H3.
What are the key properties of 2-methyl-4-[(4-methylphenyl)methylamino]butan-2-ol?
2-methyl-4-[(4-methylphenyl)methylamino]butan-2-ol has a molecular weight of 207.32 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(4-methylphenyl)methylamino]butan-2-ol is sourced from PubChem (CID 79360596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).