4-methyl-2-[(3-methylbutan-2-ylamino)methyl]phenol

C13H21NO — CID 63327011

IUPAC4-methyl-2-[(3-methylbutan-2-ylamino)methyl]phenol
SMILESCc1ccc(O)c(CNC(C)C(C)C)c1
InChIInChI=1S/C13H21NO/c1-9(2)11(4)14-8-12-7-10(3)5-6-13(12)15/h5-7,9,11,14-15H,8H2,1-4H3
InChIKeyCMVAEENLROFHEP-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.83
Rot. Bonds4

About 4-methyl-2-[(3-methylbutan-2-ylamino)methyl]phenol

4-methyl-2-[(3-methylbutan-2-ylamino)methyl]phenol (PubChem CID 63327011) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-methyl-2-[(3-methylbutan-2-ylamino)methyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[(3-methylbutan-2-ylamino)methyl]phenol
PubChem CID63327011
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-methyl-2-[(3-methylbutan-2-ylamino)methyl]phenol
SMILESCc1ccc(O)c(CNC(C)C(C)C)c1
InChIInChI=1S/C13H21NO/c1-9(2)11(4)14-8-12-7-10(3)5-6-13(12)15/h5-7,9,11,14-15H,8H2,1-4H3
InChIKeyCMVAEENLROFHEP-UHFFFAOYSA-N
XLogP2.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]-4-methylphenol
CID 95379080
2-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]-4-methylphenol
CID 55205892
3-[(2-hydroxy-5-methylphenyl)methylamino]butanenitrile
CID 104586902
methyl 2-[(2-hydroxy-5-methylphenyl)methylamino]-3-methylbutanoate
CID 63327146
4-methyl-2-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]phenol
CID 81360761
2-[(2-hydroxy-5-methylphenyl)methylamino]-N-methylpropanamide
CID 63324695
2-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]-4-methylphenol
CID 63324725
2-[[1-(3-hydroxyphenyl)ethylamino]methyl]-4-methylphenol
CID 63324815
2-[[1-(4-ethylphenyl)ethylamino]methyl]-4-methylphenol
CID 63327164
4-methyl-2-[[1-(2-methylphenyl)propan-2-ylamino]methyl]phenol
CID 63324431
N-[(2-methoxy-4-methylphenyl)methyl]-3-methylbutan-2-amine
CID 115728145
2-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]-4-methylphenol
CID 81371547

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(3-methylbutan-2-ylamino)methyl]phenol?
The IUPAC name of 4-methyl-2-[(3-methylbutan-2-ylamino)methyl]phenol (CID 63327011) is 4-methyl-2-[(3-methylbutan-2-ylamino)methyl]phenol.
What is the SMILES notation for 4-methyl-2-[(3-methylbutan-2-ylamino)methyl]phenol?
The canonical SMILES for 4-methyl-2-[(3-methylbutan-2-ylamino)methyl]phenol is Cc1ccc(O)c(CNC(C)C(C)C)c1.
What is the InChIKey of 4-methyl-2-[(3-methylbutan-2-ylamino)methyl]phenol?
The InChIKey is CMVAEENLROFHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-9(2)11(4)14-8-12-7-10(3)5-6-13(12)15/h5-7,9,11,14-15H,8H2,1-4H3.
What are the key properties of 4-methyl-2-[(3-methylbutan-2-ylamino)methyl]phenol?
4-methyl-2-[(3-methylbutan-2-ylamino)methyl]phenol has a molecular weight of 207.32 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(3-methylbutan-2-ylamino)methyl]phenol is sourced from PubChem (CID 63327011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).