5-methoxy-2-[phenyl(propylamino)methyl]phenol

C17H21NO2 — CID 24705349

IUPAC5-methoxy-2-[phenyl(propylamino)methyl]phenol
SMILESCCCNC(c1ccccc1)c1ccc(OC)cc1O
InChIInChI=1S/C17H21NO2/c1-3-11-18-17(13-7-5-4-6-8-13)15-10-9-14(20-2)12-16(15)19/h4-10,12,17-19H,3,11H2,1-2H3
InChIKeySRFIIGROJADWLG-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.49
Rot. Bonds6

About 5-methoxy-2-[phenyl(propylamino)methyl]phenol

5-methoxy-2-[phenyl(propylamino)methyl]phenol (PubChem CID 24705349) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-methoxy-2-[phenyl(propylamino)methyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[phenyl(propylamino)methyl]phenol
PubChem CID24705349
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name5-methoxy-2-[phenyl(propylamino)methyl]phenol
SMILESCCCNC(c1ccccc1)c1ccc(OC)cc1O
InChIInChI=1S/C17H21NO2/c1-3-11-18-17(13-7-5-4-6-8-13)15-10-9-14(20-2)12-16(15)19/h4-10,12,17-19H,3,11H2,1-2H3
InChIKeySRFIIGROJADWLG-UHFFFAOYSA-N
XLogP3.49
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-2-[(pentylamino)-phenylmethyl]phenol
CID 43824880
2-[(3-aminopropylamino)-phenylmethyl]-5-methoxyphenol
CID 60889877
5-methoxy-2-[phenyl-(prop-2-enylamino)methyl]phenol
CID 43189582
N-[(2-chloro-4-methoxyphenyl)-(3-chlorophenyl)methyl]propan-1-amine
CID 43562127
N-[(2-chloro-4-methoxyphenyl)-(2-chlorophenyl)methyl]propan-1-amine
CID 43562132
N-[(2-chloro-4-methoxyphenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 43562123
ethyl 2-(2-hydroxy-4-methoxyphenyl)-2-(propylamino)acetate
CID 102362132
N-[(4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 43561563
N-[(4-methoxy-2-methylphenyl)-pyridin-4-ylmethyl]propan-1-amine
CID 43495597
N-[(2-fluorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 62501795
5-methoxy-2-[1-[[(1S)-1-phenylethyl]amino]ethyl]phenol
CID 81350522
5-methoxy-2-[1-(1-phenylethylamino)ethyl]phenol
CID 43200586

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[phenyl(propylamino)methyl]phenol?
The IUPAC name of 5-methoxy-2-[phenyl(propylamino)methyl]phenol (CID 24705349) is 5-methoxy-2-[phenyl(propylamino)methyl]phenol.
What is the SMILES notation for 5-methoxy-2-[phenyl(propylamino)methyl]phenol?
The canonical SMILES for 5-methoxy-2-[phenyl(propylamino)methyl]phenol is CCCNC(c1ccccc1)c1ccc(OC)cc1O.
What is the InChIKey of 5-methoxy-2-[phenyl(propylamino)methyl]phenol?
The InChIKey is SRFIIGROJADWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-11-18-17(13-7-5-4-6-8-13)15-10-9-14(20-2)12-16(15)19/h4-10,12,17-19H,3,11H2,1-2H3.
What are the key properties of 5-methoxy-2-[phenyl(propylamino)methyl]phenol?
5-methoxy-2-[phenyl(propylamino)methyl]phenol has a molecular weight of 271.36 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[phenyl(propylamino)methyl]phenol is sourced from PubChem (CID 24705349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).