5-methoxy-2-[(pentylamino)-phenylmethyl]phenol

C19H25NO2 — CID 43824880

IUPAC5-methoxy-2-[(pentylamino)-phenylmethyl]phenol
SMILESCCCCCNC(c1ccccc1)c1ccc(OC)cc1O
InChIInChI=1S/C19H25NO2/c1-3-4-8-13-20-19(15-9-6-5-7-10-15)17-12-11-16(22-2)14-18(17)21/h5-7,9-12,14,19-21H,3-4,8,13H2,1-2H3
InChIKeyIYOONLQHLMDUHD-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.27
Rot. Bonds8

About 5-methoxy-2-[(pentylamino)-phenylmethyl]phenol

5-methoxy-2-[(pentylamino)-phenylmethyl]phenol (PubChem CID 43824880) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 5-methoxy-2-[(pentylamino)-phenylmethyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[(pentylamino)-phenylmethyl]phenol
PubChem CID43824880
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name5-methoxy-2-[(pentylamino)-phenylmethyl]phenol
SMILESCCCCCNC(c1ccccc1)c1ccc(OC)cc1O
InChIInChI=1S/C19H25NO2/c1-3-4-8-13-20-19(15-9-6-5-7-10-15)17-12-11-16(22-2)14-18(17)21/h5-7,9-12,14,19-21H,3-4,8,13H2,1-2H3
InChIKeyIYOONLQHLMDUHD-UHFFFAOYSA-N
XLogP4.27
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.27
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-[(pentylamino)-phenylmethyl]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

5-methoxy-2-[phenyl(propylamino)methyl]phenol
CID 24705349
2-[(3-aminopropylamino)-phenylmethyl]-5-methoxyphenol
CID 60889877
5-methoxy-2-[phenyl-(prop-2-enylamino)methyl]phenol
CID 43189582
2-[1-(butylamino)ethyl]-5-methoxyphenol
CID 43200995
N-benzhydryldecan-1-amine
CID 57251579
N-benzhydryloctan-1-amine;hydrate
CID 173441566
N-benzhydrylhexan-1-amine;hydrate
CID 173442267
N-benzhydrylhexan-1-amine;hydrochloride
CID 173426900
N-benzhydryldecan-1-amine;hydrochloride
CID 173427301
N-[(2-chloro-4-methoxyphenyl)-(3-chlorophenyl)methyl]propan-1-amine
CID 43562127
1-(4-methoxyphenyl)-3-(pentylamino)-3-phenylpropan-1-one
CID 139795003
5-methoxy-2-[1-[[(1S)-1-phenylethyl]amino]ethyl]phenol
CID 81350522

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(pentylamino)-phenylmethyl]phenol?
The IUPAC name of 5-methoxy-2-[(pentylamino)-phenylmethyl]phenol (CID 43824880) is 5-methoxy-2-[(pentylamino)-phenylmethyl]phenol.
What is the SMILES notation for 5-methoxy-2-[(pentylamino)-phenylmethyl]phenol?
The canonical SMILES for 5-methoxy-2-[(pentylamino)-phenylmethyl]phenol is CCCCCNC(c1ccccc1)c1ccc(OC)cc1O.
What is the InChIKey of 5-methoxy-2-[(pentylamino)-phenylmethyl]phenol?
The InChIKey is IYOONLQHLMDUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-3-4-8-13-20-19(15-9-6-5-7-10-15)17-12-11-16(22-2)14-18(17)21/h5-7,9-12,14,19-21H,3-4,8,13H2,1-2H3.
What are the key properties of 5-methoxy-2-[(pentylamino)-phenylmethyl]phenol?
5-methoxy-2-[(pentylamino)-phenylmethyl]phenol has a molecular weight of 299.41 g/mol, XLogP of 4.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(pentylamino)-phenylmethyl]phenol is sourced from PubChem (CID 43824880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).