4-methyl-2-[[methyl(pentan-3-yl)amino]methyl]phenol

C14H23NO — CID 82976772

IUPAC4-methyl-2-[[methyl(pentan-3-yl)amino]methyl]phenol
SMILESCCC(CC)N(C)Cc1cc(C)ccc1O
InChIInChI=1S/C14H23NO/c1-5-13(6-2)15(4)10-12-9-11(3)7-8-14(12)16/h7-9,13,16H,5-6,10H2,1-4H3
InChIKeyKYQUJPFTHZOMRE-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.32
Rot. Bonds5

About 4-methyl-2-[[methyl(pentan-3-yl)amino]methyl]phenol

4-methyl-2-[[methyl(pentan-3-yl)amino]methyl]phenol (PubChem CID 82976772) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-methyl-2-[[methyl(pentan-3-yl)amino]methyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[[methyl(pentan-3-yl)amino]methyl]phenol
PubChem CID82976772
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-methyl-2-[[methyl(pentan-3-yl)amino]methyl]phenol
SMILESCCC(CC)N(C)Cc1cc(C)ccc1O
InChIInChI=1S/C14H23NO/c1-5-13(6-2)15(4)10-12-9-11(3)7-8-14(12)16/h7-9,13,16H,5-6,10H2,1-4H3
InChIKeyKYQUJPFTHZOMRE-UHFFFAOYSA-N
XLogP3.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methyl-2-[[methyl(pentan-3-yl)amino]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-2-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 82977656
2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-methylphenol
CID 82981814
N-[(2-hydroxy-5-methylphenyl)methyl]-N-methylacetamide
CID 130034284
4-methyl-2-[[methyl(pentyl)amino]methyl]phenol
CID 82976648
2-[(4-ethyl-N-methylanilino)methyl]-4-methylphenol
CID 82978731
2-(2-hydroxy-5-methylphenyl)acetic acid
CID 13360645
4-methyl-2-[[pentyl(propan-2-yl)amino]methyl]phenol
CID 82978818
N-[(2,5-dimethylphenyl)methyl]-N-methylpropan-2-amine
CID 117043979
2-[[3-aminopropyl(methyl)amino]methyl]-4-methylphenol
CID 115318694
3-methyl-4-[[methyl(pentan-3-yl)amino]methyl]benzenecarbothioamide
CID 114481751
2-[(2-hydroxy-5-methylphenyl)methyl-methylamino]-2-methylpropanoic acid
CID 65061038
2-[[cyclopentyl(ethyl)amino]methyl]-4-methylphenol
CID 82976860

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[methyl(pentan-3-yl)amino]methyl]phenol?
The IUPAC name of 4-methyl-2-[[methyl(pentan-3-yl)amino]methyl]phenol (CID 82976772) is 4-methyl-2-[[methyl(pentan-3-yl)amino]methyl]phenol.
What is the SMILES notation for 4-methyl-2-[[methyl(pentan-3-yl)amino]methyl]phenol?
The canonical SMILES for 4-methyl-2-[[methyl(pentan-3-yl)amino]methyl]phenol is CCC(CC)N(C)Cc1cc(C)ccc1O.
What is the InChIKey of 4-methyl-2-[[methyl(pentan-3-yl)amino]methyl]phenol?
The InChIKey is KYQUJPFTHZOMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-13(6-2)15(4)10-12-9-11(3)7-8-14(12)16/h7-9,13,16H,5-6,10H2,1-4H3.
What are the key properties of 4-methyl-2-[[methyl(pentan-3-yl)amino]methyl]phenol?
4-methyl-2-[[methyl(pentan-3-yl)amino]methyl]phenol has a molecular weight of 221.34 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[methyl(pentan-3-yl)amino]methyl]phenol is sourced from PubChem (CID 82976772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).