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

C14H23NO2 — CID 82977656

IUPAC4-methoxy-2-[[methyl(pentan-3-yl)amino]methyl]phenol
SMILESCCC(CC)N(C)Cc1cc(OC)ccc1O
InChIInChI=1S/C14H23NO2/c1-5-12(6-2)15(3)10-11-9-13(17-4)7-8-14(11)16/h7-9,12,16H,5-6,10H2,1-4H3
InChIKeyJUMGXFUYPQYACL-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.02
Rot. Bonds6

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

4-methoxy-2-[[methyl(pentan-3-yl)amino]methyl]phenol (PubChem CID 82977656) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-methoxy-2-[[methyl(pentan-3-yl)amino]methyl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[[methyl(pentan-3-yl)amino]methyl]phenol
PubChem CID82977656
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name4-methoxy-2-[[methyl(pentan-3-yl)amino]methyl]phenol
SMILESCCC(CC)N(C)Cc1cc(OC)ccc1O
InChIInChI=1S/C14H23NO2/c1-5-12(6-2)15(3)10-11-9-13(17-4)7-8-14(11)16/h7-9,12,16H,5-6,10H2,1-4H3
InChIKeyJUMGXFUYPQYACL-UHFFFAOYSA-N
XLogP3.02
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(dimethylamino)methyl]-4-methoxyphenol
CID 12561113
4-methoxy-2-[[methyl(propyl)amino]methyl]phenol
CID 82977818
4-methoxy-2-[(pentan-3-ylamino)methyl]phenol
CID 28611091
4-methyl-2-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 82976772
4-methoxy-2-[(4-methoxy-N-methylanilino)methyl]phenol
CID 82978580
2-[[2-(dimethylamino)ethyl-propylamino]methyl]-4-methoxyphenol
CID 82979025
2-[[2-ethoxyethyl(methyl)amino]methyl]-4-methoxyphenol
CID 82983680
2-[(hexan-3-ylamino)methyl]-4-methoxyphenol
CID 62118733
5-methoxy-2-[1-[methyl(pentan-3-yl)amino]ethyl]phenol
CID 82976674
2-[(2-hydroxy-5-methoxyphenyl)methylamino]propane-1,3-diol
CID 65310161
4-chloro-2-methoxy-6-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 113436169
4-methoxy-2-[(4-methoxyphenyl)methyl]phenol
CID 67461298

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[methyl(pentan-3-yl)amino]methyl]phenol?
The IUPAC name of 4-methoxy-2-[[methyl(pentan-3-yl)amino]methyl]phenol (CID 82977656) is 4-methoxy-2-[[methyl(pentan-3-yl)amino]methyl]phenol.
What is the SMILES notation for 4-methoxy-2-[[methyl(pentan-3-yl)amino]methyl]phenol?
The canonical SMILES for 4-methoxy-2-[[methyl(pentan-3-yl)amino]methyl]phenol is CCC(CC)N(C)Cc1cc(OC)ccc1O.
What is the InChIKey of 4-methoxy-2-[[methyl(pentan-3-yl)amino]methyl]phenol?
The InChIKey is JUMGXFUYPQYACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-12(6-2)15(3)10-11-9-13(17-4)7-8-14(11)16/h7-9,12,16H,5-6,10H2,1-4H3.
What are the key properties of 4-methoxy-2-[[methyl(pentan-3-yl)amino]methyl]phenol?
4-methoxy-2-[[methyl(pentan-3-yl)amino]methyl]phenol has a molecular weight of 237.34 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[methyl(pentan-3-yl)amino]methyl]phenol is sourced from PubChem (CID 82977656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).