2-[3-(2,5-dimethylhexan-3-yl)phenoxy]-N-[(4-methoxyphenyl)methyl]ethanamine

C24H35NO2 — CID 173190847

IUPAC2-[3-(2,5-dimethylhexan-3-yl)phenoxy]-N-[(4-methoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(CNCCOc2cccc(C(CC(C)C)C(C)C)c2)cc1
InChIInChI=1S/C24H35NO2/c1-18(2)15-24(19(3)4)21-7-6-8-23(16-21)27-14-13-25-17-20-9-11-22(26-5)12-10-20/h6-12,16,18-19,24-25H,13-15,17H2,1-5H3
InChIKeyXINZDVSKQACZMO-UHFFFAOYSA-N
MW369.55 g/mol
LogP5.65
Rot. Bonds11

About 2-[3-(2,5-dimethylhexan-3-yl)phenoxy]-N-[(4-methoxyphenyl)methyl]ethanamine

2-[3-(2,5-dimethylhexan-3-yl)phenoxy]-N-[(4-methoxyphenyl)methyl]ethanamine (PubChem CID 173190847) has the molecular formula C24H35NO2 and a molecular weight of 369.55 g/mol. Its IUPAC name is 2-[3-(2,5-dimethylhexan-3-yl)phenoxy]-N-[(4-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-[3-(2,5-dimethylhexan-3-yl)phenoxy]-N-[(4-methoxyphenyl)methyl]ethanamine
PubChem CID173190847
Molecular FormulaC24H35NO2
Molecular Weight369.55 g/mol
Exact Mass369.27
IUPAC Name2-[3-(2,5-dimethylhexan-3-yl)phenoxy]-N-[(4-methoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(CNCCOc2cccc(C(CC(C)C)C(C)C)c2)cc1
InChIInChI=1S/C24H35NO2/c1-18(2)15-24(19(3)4)21-7-6-8-23(16-21)27-14-13-25-17-20-9-11-22(26-5)12-10-20/h6-12,16,18-19,24-25H,13-15,17H2,1-5H3
InChIKeyXINZDVSKQACZMO-UHFFFAOYSA-N
XLogP5.65
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.55
LogP ≤ 55.65
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

2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 39388259
2-(3-methoxyphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 86854917
2-(4-bromophenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 60685867
(1S)-N-[2-(4-methoxyphenoxy)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 95972955
2-(4-tert-butylphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 39454639
1-[2-(3-methoxyphenoxy)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 38885483
1-[2-(4-methoxyphenyl)ethyl]-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
CID 112972385
3-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]butan-1-amine
CID 55088692
2-(4-bromophenoxy)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 60690670
ethyl (2R)-2-[3-[[3-(4-methoxyphenoxy)propylamino]methyl]phenoxy]propanoate
CID 70806375
1-[3-[(4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 60879205
N'-[(4-methoxyphenyl)methyl]-N-[2-[(4-methoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;hydrochloride
CID 54604345

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,5-dimethylhexan-3-yl)phenoxy]-N-[(4-methoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-[3-(2,5-dimethylhexan-3-yl)phenoxy]-N-[(4-methoxyphenyl)methyl]ethanamine (CID 173190847) is 2-[3-(2,5-dimethylhexan-3-yl)phenoxy]-N-[(4-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-[3-(2,5-dimethylhexan-3-yl)phenoxy]-N-[(4-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-[3-(2,5-dimethylhexan-3-yl)phenoxy]-N-[(4-methoxyphenyl)methyl]ethanamine is COc1ccc(CNCCOc2cccc(C(CC(C)C)C(C)C)c2)cc1.
What is the InChIKey of 2-[3-(2,5-dimethylhexan-3-yl)phenoxy]-N-[(4-methoxyphenyl)methyl]ethanamine?
The InChIKey is XINZDVSKQACZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO2/c1-18(2)15-24(19(3)4)21-7-6-8-23(16-21)27-14-13-25-17-20-9-11-22(26-5)12-10-20/h6-12,16,18-19,24-25H,13-15,17H2,1-5H3.
What are the key properties of 2-[3-(2,5-dimethylhexan-3-yl)phenoxy]-N-[(4-methoxyphenyl)methyl]ethanamine?
2-[3-(2,5-dimethylhexan-3-yl)phenoxy]-N-[(4-methoxyphenyl)methyl]ethanamine has a molecular weight of 369.55 g/mol, XLogP of 5.65, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,5-dimethylhexan-3-yl)phenoxy]-N-[(4-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 173190847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).