N-[3-(4-ethylphenoxy)propyl]-4-methylaniline

C18H23NO — CID 82096367

IUPACN-[3-(4-ethylphenoxy)propyl]-4-methylaniline
SMILESCCc1ccc(OCCCNc2ccc(C)cc2)cc1
InChIInChI=1S/C18H23NO/c1-3-16-7-11-18(12-8-16)20-14-4-13-19-17-9-5-15(2)6-10-17/h5-12,19H,3-4,13-14H2,1-2H3
InChIKeyMWFGVZDVSQZRMK-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.44
Rot. Bonds7

About N-[3-(4-ethylphenoxy)propyl]-4-methylaniline

N-[3-(4-ethylphenoxy)propyl]-4-methylaniline (PubChem CID 82096367) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[3-(4-ethylphenoxy)propyl]-4-methylaniline.

Molecular Properties

Compound NameN-[3-(4-ethylphenoxy)propyl]-4-methylaniline
PubChem CID82096367
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[3-(4-ethylphenoxy)propyl]-4-methylaniline
SMILESCCc1ccc(OCCCNc2ccc(C)cc2)cc1
InChIInChI=1S/C18H23NO/c1-3-16-7-11-18(12-8-16)20-14-4-13-19-17-9-5-15(2)6-10-17/h5-12,19H,3-4,13-14H2,1-2H3
InChIKeyMWFGVZDVSQZRMK-UHFFFAOYSA-N
XLogP4.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
CID 4072797
N-[2-(4-methylphenoxy)ethyl]-4-propoxyaniline
CID 54799087
4-methyl-N-[2-(4-propoxyphenoxy)ethyl]aniline
CID 63517332
N-[2-(4-ethylphenoxy)ethyl]aniline
CID 54796136
N-[3-(4-methylphenoxy)propyl]-4-propan-2-ylaniline
CID 82096139
4-butoxy-N-butylaniline
CID 15112153
N-[2-(4-ethylphenoxy)ethyl]-4-(2-phenylethoxy)aniline
CID 54800211
N-[4-(4-methylphenoxy)butyl]aniline
CID 82096490
3,4-difluoro-N-[3-(4-methylphenoxy)propyl]aniline
CID 82096628
N-[3-(4-ethylphenoxy)propyl]-2,6-difluoroaniline
CID 82096656
1-(4-butoxyphenyl)-2-(4-ethylphenyl)hydrazine
CID 177145678
N-(3-ethoxypropyl)-4-methylaniline
CID 65176643

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylphenoxy)propyl]-4-methylaniline?
The IUPAC name of N-[3-(4-ethylphenoxy)propyl]-4-methylaniline (CID 82096367) is N-[3-(4-ethylphenoxy)propyl]-4-methylaniline.
What is the SMILES notation for N-[3-(4-ethylphenoxy)propyl]-4-methylaniline?
The canonical SMILES for N-[3-(4-ethylphenoxy)propyl]-4-methylaniline is CCc1ccc(OCCCNc2ccc(C)cc2)cc1.
What is the InChIKey of N-[3-(4-ethylphenoxy)propyl]-4-methylaniline?
The InChIKey is MWFGVZDVSQZRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-16-7-11-18(12-8-16)20-14-4-13-19-17-9-5-15(2)6-10-17/h5-12,19H,3-4,13-14H2,1-2H3.
What are the key properties of N-[3-(4-ethylphenoxy)propyl]-4-methylaniline?
N-[3-(4-ethylphenoxy)propyl]-4-methylaniline has a molecular weight of 269.39 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylphenoxy)propyl]-4-methylaniline is sourced from PubChem (CID 82096367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).