5-methoxy-2-[(4-methylpentylamino)methyl]phenol

C14H23NO2 — CID 61263266

IUPAC5-methoxy-2-[(4-methylpentylamino)methyl]phenol
SMILESCOc1ccc(CNCCCC(C)C)c(O)c1
InChIInChI=1S/C14H23NO2/c1-11(2)5-4-8-15-10-12-6-7-13(17-3)9-14(12)16/h6-7,9,11,15-16H,4-5,8,10H2,1-3H3
InChIKeyPLOZPGBAKSTMOX-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.93
Rot. Bonds7

About 5-methoxy-2-[(4-methylpentylamino)methyl]phenol

5-methoxy-2-[(4-methylpentylamino)methyl]phenol (PubChem CID 61263266) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 5-methoxy-2-[(4-methylpentylamino)methyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[(4-methylpentylamino)methyl]phenol
PubChem CID61263266
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name5-methoxy-2-[(4-methylpentylamino)methyl]phenol
SMILESCOc1ccc(CNCCCC(C)C)c(O)c1
InChIInChI=1S/C14H23NO2/c1-11(2)5-4-8-15-10-12-6-7-13(17-3)9-14(12)16/h6-7,9,11,15-16H,4-5,8,10H2,1-3H3
InChIKeyPLOZPGBAKSTMOX-UHFFFAOYSA-N
XLogP2.93
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-methoxy-2-[(4-methylpentylamino)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

2-[(4-hydroxypentylamino)methyl]-5-methoxyphenol
CID 107267668
2-[(4-hydroxybutylamino)methyl]-5-methoxyphenol
CID 106840604
2-[(2-aminoethylamino)methyl]-5-methoxyphenol
CID 61261958
N-[(2-fluoro-4-methoxyphenyl)methyl]-7-methyloctan-1-amine
CID 107814945
5-methoxy-2-[(3-methylsulfonylpropylamino)methyl]phenol
CID 61262890
2-[(4-methylpentylamino)methyl]phenol
CID 61044240
2-(ethylaminomethyl)-5-methoxyphenol
CID 39257600
2-[(3-cyclopropylpropylamino)methyl]-5-methoxyphenol
CID 115639474
4-[(4-hydroxypentylamino)methyl]benzene-1,3-diol
CID 107267932
4-fluoro-2-[(4-methylpentylamino)methyl]phenol
CID 103948054
2-[[(2-chlorophenyl)methylamino]methyl]-5-methoxyphenol
CID 61268747
2-[(2-ethoxypropylamino)methyl]-5-methoxyphenol
CID 115655741

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(4-methylpentylamino)methyl]phenol?
The IUPAC name of 5-methoxy-2-[(4-methylpentylamino)methyl]phenol (CID 61263266) is 5-methoxy-2-[(4-methylpentylamino)methyl]phenol.
What is the SMILES notation for 5-methoxy-2-[(4-methylpentylamino)methyl]phenol?
The canonical SMILES for 5-methoxy-2-[(4-methylpentylamino)methyl]phenol is COc1ccc(CNCCCC(C)C)c(O)c1.
What is the InChIKey of 5-methoxy-2-[(4-methylpentylamino)methyl]phenol?
The InChIKey is PLOZPGBAKSTMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11(2)5-4-8-15-10-12-6-7-13(17-3)9-14(12)16/h6-7,9,11,15-16H,4-5,8,10H2,1-3H3.
What are the key properties of 5-methoxy-2-[(4-methylpentylamino)methyl]phenol?
5-methoxy-2-[(4-methylpentylamino)methyl]phenol has a molecular weight of 237.34 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(4-methylpentylamino)methyl]phenol is sourced from PubChem (CID 61263266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).