[4-[2-methyl-4-(propylaminomethyl)phenoxy]phenyl]methanol

C18H23NO2 — CID 62122969

IUPAC[4-[2-methyl-4-(propylaminomethyl)phenoxy]phenyl]methanol
SMILESCCCNCc1ccc(Oc2ccc(CO)cc2)c(C)c1
InChIInChI=1S/C18H23NO2/c1-3-10-19-12-16-6-9-18(14(2)11-16)21-17-7-4-15(13-20)5-8-17/h4-9,11,19-20H,3,10,12-13H2,1-2H3
InChIKeyKJABADGHYSZJIV-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.78
Rot. Bonds7

About [4-[2-methyl-4-(propylaminomethyl)phenoxy]phenyl]methanol

[4-[2-methyl-4-(propylaminomethyl)phenoxy]phenyl]methanol (PubChem CID 62122969) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is [4-[2-methyl-4-(propylaminomethyl)phenoxy]phenyl]methanol.

Molecular Properties

Compound Name[4-[2-methyl-4-(propylaminomethyl)phenoxy]phenyl]methanol
PubChem CID62122969
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name[4-[2-methyl-4-(propylaminomethyl)phenoxy]phenyl]methanol
SMILESCCCNCc1ccc(Oc2ccc(CO)cc2)c(C)c1
InChIInChI=1S/C18H23NO2/c1-3-10-19-12-16-6-9-18(14(2)11-16)21-17-7-4-15(13-20)5-8-17/h4-9,11,19-20H,3,10,12-13H2,1-2H3
InChIKeyKJABADGHYSZJIV-UHFFFAOYSA-N
XLogP3.78
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(3-chloro-4-fluorophenoxy)-3-methylphenyl]methyl]propan-1-amine
CID 63877804
N-[[3-(4-bromophenoxy)-4-methylphenyl]methyl]propan-1-amine
CID 105406672
N-[[4-(3-fluoro-4-methylphenoxy)-3-methylphenyl]methyl]ethanamine
CID 107169923
[4-[4-(ethylaminomethyl)-2-fluorophenoxy]phenyl]methanol
CID 61228377
[4-(4-chloro-2-methylphenoxy)phenyl]methanol
CID 28946141
N-[[4-(2-chloro-4-methylphenoxy)phenyl]methyl]propan-1-amine
CID 63550749
N-[[4-(4-chlorophenoxy)-3-fluorophenyl]methyl]propan-1-amine
CID 43282990
N-[[4-(2,4-dichlorophenoxy)phenyl]methyl]propan-1-amine
CID 43283286
N-[[3-(4-fluorophenoxy)-4-methylphenyl]methyl]ethanamine
CID 105406759
N-[[4-(3,5-dimethylphenoxy)-3-fluorophenyl]methyl]propan-1-amine
CID 43283078
N-[[3-methyl-4-(2-methylphenoxy)phenyl]methyl]ethanamine
CID 63552188
N-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 63551446

Frequently Asked Questions

What is the IUPAC name of [4-[2-methyl-4-(propylaminomethyl)phenoxy]phenyl]methanol?
The IUPAC name of [4-[2-methyl-4-(propylaminomethyl)phenoxy]phenyl]methanol (CID 62122969) is [4-[2-methyl-4-(propylaminomethyl)phenoxy]phenyl]methanol.
What is the SMILES notation for [4-[2-methyl-4-(propylaminomethyl)phenoxy]phenyl]methanol?
The canonical SMILES for [4-[2-methyl-4-(propylaminomethyl)phenoxy]phenyl]methanol is CCCNCc1ccc(Oc2ccc(CO)cc2)c(C)c1.
What is the InChIKey of [4-[2-methyl-4-(propylaminomethyl)phenoxy]phenyl]methanol?
The InChIKey is KJABADGHYSZJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-10-19-12-16-6-9-18(14(2)11-16)21-17-7-4-15(13-20)5-8-17/h4-9,11,19-20H,3,10,12-13H2,1-2H3.
What are the key properties of [4-[2-methyl-4-(propylaminomethyl)phenoxy]phenyl]methanol?
[4-[2-methyl-4-(propylaminomethyl)phenoxy]phenyl]methanol has a molecular weight of 285.39 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-methyl-4-(propylaminomethyl)phenoxy]phenyl]methanol is sourced from PubChem (CID 62122969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).