N-[2-(4-methylphenoxy)ethyl]-4-propoxyaniline

C18H23NO2 — CID 54799087

IUPACN-[2-(4-methylphenoxy)ethyl]-4-propoxyaniline
SMILESCCCOc1ccc(NCCOc2ccc(C)cc2)cc1
InChIInChI=1S/C18H23NO2/c1-3-13-20-18-10-6-16(7-11-18)19-12-14-21-17-8-4-15(2)5-9-17/h4-11,19H,3,12-14H2,1-2H3
InChIKeyMWDHGSNWZIRKGA-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.27
Rot. Bonds8

About N-[2-(4-methylphenoxy)ethyl]-4-propoxyaniline

N-[2-(4-methylphenoxy)ethyl]-4-propoxyaniline (PubChem CID 54799087) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[2-(4-methylphenoxy)ethyl]-4-propoxyaniline.

Molecular Properties

Compound NameN-[2-(4-methylphenoxy)ethyl]-4-propoxyaniline
PubChem CID54799087
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-[2-(4-methylphenoxy)ethyl]-4-propoxyaniline
SMILESCCCOc1ccc(NCCOc2ccc(C)cc2)cc1
InChIInChI=1S/C18H23NO2/c1-3-13-20-18-10-6-16(7-11-18)19-12-14-21-17-8-4-15(2)5-9-17/h4-11,19H,3,12-14H2,1-2H3
InChIKeyMWDHGSNWZIRKGA-UHFFFAOYSA-N
XLogP4.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[2-(4-propoxyphenoxy)ethyl]aniline
CID 63517332
4-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
CID 4072797
N-(2-phenoxyethyl)-4-propoxyaniline
CID 54799062
4-chloro-N-[2-(4-propoxyphenoxy)ethyl]aniline
CID 63517333
N-[3-(4-ethylphenoxy)propyl]-4-methylaniline
CID 82096367
N-[2-(4-methylphenoxy)propyl]-4-propoxyaniline
CID 54799010
N'-(4-chlorophenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine
CID 54806067
N-(2-methylsulfonylethyl)-4-propoxyaniline
CID 62327463
3,4-difluoro-N-[2-(4-methylphenoxy)ethyl]aniline
CID 82096625
N-[2-(2-chlorophenoxy)ethyl]-4-propoxyaniline
CID 54798999
4-butoxy-N-butylaniline
CID 15112153
4-butoxy-N-[2-(4-tert-butylphenoxy)ethyl]aniline
CID 54799238

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenoxy)ethyl]-4-propoxyaniline?
The IUPAC name of N-[2-(4-methylphenoxy)ethyl]-4-propoxyaniline (CID 54799087) is N-[2-(4-methylphenoxy)ethyl]-4-propoxyaniline.
What is the SMILES notation for N-[2-(4-methylphenoxy)ethyl]-4-propoxyaniline?
The canonical SMILES for N-[2-(4-methylphenoxy)ethyl]-4-propoxyaniline is CCCOc1ccc(NCCOc2ccc(C)cc2)cc1.
What is the InChIKey of N-[2-(4-methylphenoxy)ethyl]-4-propoxyaniline?
The InChIKey is MWDHGSNWZIRKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-13-20-18-10-6-16(7-11-18)19-12-14-21-17-8-4-15(2)5-9-17/h4-11,19H,3,12-14H2,1-2H3.
What are the key properties of N-[2-(4-methylphenoxy)ethyl]-4-propoxyaniline?
N-[2-(4-methylphenoxy)ethyl]-4-propoxyaniline has a molecular weight of 285.39 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenoxy)ethyl]-4-propoxyaniline is sourced from PubChem (CID 54799087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).