4-methyl-2-[[methyl(pentyl)amino]methyl]phenol

C14H23NO — CID 82976648

IUPAC4-methyl-2-[[methyl(pentyl)amino]methyl]phenol
SMILESCCCCCN(C)Cc1cc(C)ccc1O
InChIInChI=1S/C14H23NO/c1-4-5-6-9-15(3)11-13-10-12(2)7-8-14(13)16/h7-8,10,16H,4-6,9,11H2,1-3H3
InChIKeyPUNVDBSAXHLANV-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.32
Rot. Bonds6

About 4-methyl-2-[[methyl(pentyl)amino]methyl]phenol

4-methyl-2-[[methyl(pentyl)amino]methyl]phenol (PubChem CID 82976648) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-methyl-2-[[methyl(pentyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[[methyl(pentyl)amino]methyl]phenol
PubChem CID82976648
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-methyl-2-[[methyl(pentyl)amino]methyl]phenol
SMILESCCCCCN(C)Cc1cc(C)ccc1O
InChIInChI=1S/C14H23NO/c1-4-5-6-9-15(3)11-13-10-12(2)7-8-14(13)16/h7-8,10,16H,4-6,9,11H2,1-3H3
InChIKeyPUNVDBSAXHLANV-UHFFFAOYSA-N
XLogP3.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[3-aminopropyl(methyl)amino]methyl]-4-methylphenol
CID 115318694
4-bromo-2-[[methyl(pentyl)amino]methyl]phenol
CID 82977633
4-methyl-2-[[pentyl(propan-2-yl)amino]methyl]phenol
CID 82978818
5-[(2,5-dimethylphenyl)methyl-methylamino]pentan-1-ol
CID 106547731
4-methyl-2-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 82976772
N-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine
CID 71201517
N-[(2-hydroxy-5-methylphenyl)methyl]-N-methylacetamide
CID 130034284
N'-[(2,5-dimethylphenyl)methyl]-N,N'-dimethylbutane-1,4-diamine
CID 115202005
4-fluoro-2-[[methyl(propyl)amino]methyl]phenol
CID 103947518
4-methyl-2-[[methyl(2-piperazin-1-ylethyl)amino]methyl]phenol
CID 63325401
4-[[(2-hydroxy-5-methylphenyl)methyl-methylamino]methyl]benzoic acid
CID 65056262
2-(2-hydroxy-5-methylphenyl)acetic acid
CID 13360645

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[methyl(pentyl)amino]methyl]phenol?
The IUPAC name of 4-methyl-2-[[methyl(pentyl)amino]methyl]phenol (CID 82976648) is 4-methyl-2-[[methyl(pentyl)amino]methyl]phenol.
What is the SMILES notation for 4-methyl-2-[[methyl(pentyl)amino]methyl]phenol?
The canonical SMILES for 4-methyl-2-[[methyl(pentyl)amino]methyl]phenol is CCCCCN(C)Cc1cc(C)ccc1O.
What is the InChIKey of 4-methyl-2-[[methyl(pentyl)amino]methyl]phenol?
The InChIKey is PUNVDBSAXHLANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-5-6-9-15(3)11-13-10-12(2)7-8-14(13)16/h7-8,10,16H,4-6,9,11H2,1-3H3.
What are the key properties of 4-methyl-2-[[methyl(pentyl)amino]methyl]phenol?
4-methyl-2-[[methyl(pentyl)amino]methyl]phenol has a molecular weight of 221.34 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[methyl(pentyl)amino]methyl]phenol is sourced from PubChem (CID 82976648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).