2,4-dimethyl-N-[3-(4-methylphenoxy)propyl]aniline

C18H23NO — CID 82096306

IUPAC2,4-dimethyl-N-[3-(4-methylphenoxy)propyl]aniline
SMILESCc1ccc(OCCCNc2ccc(C)cc2C)cc1
InChIInChI=1S/C18H23NO/c1-14-5-8-17(9-6-14)20-12-4-11-19-18-10-7-15(2)13-16(18)3/h5-10,13,19H,4,11-12H2,1-3H3
InChIKeyGYQULFHFEGTNIC-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.49
Rot. Bonds6

About 2,4-dimethyl-N-[3-(4-methylphenoxy)propyl]aniline

2,4-dimethyl-N-[3-(4-methylphenoxy)propyl]aniline (PubChem CID 82096306) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2,4-dimethyl-N-[3-(4-methylphenoxy)propyl]aniline.

Molecular Properties

Compound Name2,4-dimethyl-N-[3-(4-methylphenoxy)propyl]aniline
PubChem CID82096306
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2,4-dimethyl-N-[3-(4-methylphenoxy)propyl]aniline
SMILESCc1ccc(OCCCNc2ccc(C)cc2C)cc1
InChIInChI=1S/C18H23NO/c1-14-5-8-17(9-6-14)20-12-4-11-19-18-10-7-15(2)13-16(18)3/h5-10,13,19H,4,11-12H2,1-3H3
InChIKeyGYQULFHFEGTNIC-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.49
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

N-[2-(2,5-dimethylphenoxy)ethyl]-2,4-dimethylaniline
CID 54796581
N-[3-(4-methoxyphenoxy)propyl]-2,5-dimethylaniline
CID 82095922
2-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
CID 60679505
1-(2,4-dimethylphenyl)-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970080
2-methoxy-5-methyl-N-[4-(4-methylphenoxy)butyl]aniline
CID 82096579
2-[3-(4-tert-butylphenoxy)propylamino]-5-methylbenzoic acid
CID 18802518
2-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]ethanamine
CID 18793139
N-[2-(4-methoxyphenyl)ethyl]-2,4-dimethylaniline
CID 23991308
3,4-difluoro-N-[3-(4-methylphenoxy)propyl]aniline
CID 82096628
4-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
CID 4072797
5-(2,4-dimethylanilino)pentanenitrile
CID 60679541
4-fluoro-2-methoxy-N-[2-(4-methylphenoxy)ethyl]aniline
CID 55590956

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[3-(4-methylphenoxy)propyl]aniline?
The IUPAC name of 2,4-dimethyl-N-[3-(4-methylphenoxy)propyl]aniline (CID 82096306) is 2,4-dimethyl-N-[3-(4-methylphenoxy)propyl]aniline.
What is the SMILES notation for 2,4-dimethyl-N-[3-(4-methylphenoxy)propyl]aniline?
The canonical SMILES for 2,4-dimethyl-N-[3-(4-methylphenoxy)propyl]aniline is Cc1ccc(OCCCNc2ccc(C)cc2C)cc1.
What is the InChIKey of 2,4-dimethyl-N-[3-(4-methylphenoxy)propyl]aniline?
The InChIKey is GYQULFHFEGTNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-14-5-8-17(9-6-14)20-12-4-11-19-18-10-7-15(2)13-16(18)3/h5-10,13,19H,4,11-12H2,1-3H3.
What are the key properties of 2,4-dimethyl-N-[3-(4-methylphenoxy)propyl]aniline?
2,4-dimethyl-N-[3-(4-methylphenoxy)propyl]aniline has a molecular weight of 269.39 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[3-(4-methylphenoxy)propyl]aniline is sourced from PubChem (CID 82096306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).