[3-[3-(2,6-dimethylphenoxy)propoxy]phenyl]methanamine

C18H23NO2 — CID 43254018

IUPAC[3-[3-(2,6-dimethylphenoxy)propoxy]phenyl]methanamine
SMILESCc1cccc(C)c1OCCCOc1cccc(CN)c1
InChIInChI=1S/C18H23NO2/c1-14-6-3-7-15(2)18(14)21-11-5-10-20-17-9-4-8-16(12-17)13-19/h3-4,6-9,12H,5,10-11,13,19H2,1-2H3
InChIKeyXZTZVORLLXLHDO-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.61
Rot. Bonds7

About [3-[3-(2,6-dimethylphenoxy)propoxy]phenyl]methanamine

[3-[3-(2,6-dimethylphenoxy)propoxy]phenyl]methanamine (PubChem CID 43254018) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is [3-[3-(2,6-dimethylphenoxy)propoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-[3-(2,6-dimethylphenoxy)propoxy]phenyl]methanamine
PubChem CID43254018
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name[3-[3-(2,6-dimethylphenoxy)propoxy]phenyl]methanamine
SMILESCc1cccc(C)c1OCCCOc1cccc(CN)c1
InChIInChI=1S/C18H23NO2/c1-14-6-3-7-15(2)18(14)21-11-5-10-20-17-9-4-8-16(12-17)13-19/h3-4,6-9,12H,5,10-11,13,19H2,1-2H3
InChIKeyXZTZVORLLXLHDO-UHFFFAOYSA-N
XLogP3.61
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-(3-ethoxypropoxy)phenyl]methanamine
CID 43253998
5-[3-(aminomethyl)phenoxy]pentan-1-ol
CID 62228589
[3-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]phenyl]methanamine
CID 22683215
[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]phenyl]methanamine
CID 103401471
[3-[3-(2-propoxyethoxy)propoxy]phenyl]methanamine
CID 55231654
[3-[3-(4-fluorophenoxy)propoxy]phenyl]methanamine
CID 43254100
[4-[3-(3-ethylphenoxy)propoxy]phenyl]methanamine
CID 43254285
[3-(3-hexoxypropoxy)phenyl]methanamine
CID 43254403
[3-[3-(4-methylsulfanylphenoxy)propoxy]phenyl]methanamine
CID 63649819
2-[3-(aminomethyl)phenoxy]ethanol
CID 21465373
[3-[3-(2-chloro-5-methylphenoxy)propoxy]phenyl]methanamine
CID 43531016
[3-[5-[3-(aminomethyl)phenyl]peroxypentoxy]phenyl]methanamine
CID 22002116

Frequently Asked Questions

What is the IUPAC name of [3-[3-(2,6-dimethylphenoxy)propoxy]phenyl]methanamine?
The IUPAC name of [3-[3-(2,6-dimethylphenoxy)propoxy]phenyl]methanamine (CID 43254018) is [3-[3-(2,6-dimethylphenoxy)propoxy]phenyl]methanamine.
What is the SMILES notation for [3-[3-(2,6-dimethylphenoxy)propoxy]phenyl]methanamine?
The canonical SMILES for [3-[3-(2,6-dimethylphenoxy)propoxy]phenyl]methanamine is Cc1cccc(C)c1OCCCOc1cccc(CN)c1.
What is the InChIKey of [3-[3-(2,6-dimethylphenoxy)propoxy]phenyl]methanamine?
The InChIKey is XZTZVORLLXLHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-14-6-3-7-15(2)18(14)21-11-5-10-20-17-9-4-8-16(12-17)13-19/h3-4,6-9,12H,5,10-11,13,19H2,1-2H3.
What are the key properties of [3-[3-(2,6-dimethylphenoxy)propoxy]phenyl]methanamine?
[3-[3-(2,6-dimethylphenoxy)propoxy]phenyl]methanamine has a molecular weight of 285.39 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(2,6-dimethylphenoxy)propoxy]phenyl]methanamine is sourced from PubChem (CID 43254018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).