2,6-dimethyl-N-[3-(3-methylphenoxy)propyl]aniline

C18H23NO — CID 82096121

IUPAC2,6-dimethyl-N-[3-(3-methylphenoxy)propyl]aniline
SMILESCc1cccc(OCCCNc2c(C)cccc2C)c1
InChIInChI=1S/C18H23NO/c1-14-7-4-10-17(13-14)20-12-6-11-19-18-15(2)8-5-9-16(18)3/h4-5,7-10,13,19H,6,11-12H2,1-3H3
InChIKeyPMVCXDXQXOKGIA-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.49
Rot. Bonds6

About 2,6-dimethyl-N-[3-(3-methylphenoxy)propyl]aniline

2,6-dimethyl-N-[3-(3-methylphenoxy)propyl]aniline (PubChem CID 82096121) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2,6-dimethyl-N-[3-(3-methylphenoxy)propyl]aniline.

Molecular Properties

Compound Name2,6-dimethyl-N-[3-(3-methylphenoxy)propyl]aniline
PubChem CID82096121
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2,6-dimethyl-N-[3-(3-methylphenoxy)propyl]aniline
SMILESCc1cccc(OCCCNc2c(C)cccc2C)c1
InChIInChI=1S/C18H23NO/c1-14-7-4-10-17(13-14)20-12-6-11-19-18-15(2)8-5-9-16(18)3/h4-5,7-10,13,19H,6,11-12H2,1-3H3
InChIKeyPMVCXDXQXOKGIA-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

2-ethyl-6-methyl-N-[4-(3-methylphenoxy)butyl]aniline
CID 82096296
2-chloro-4,6-dimethyl-N-[3-(3-methylphenoxy)propyl]aniline
CID 82095882
2-methyl-N-[2-(3-methylphenoxy)ethyl]aniline
CID 60679514
2,3-dimethyl-N-[4-(3-methylphenoxy)butyl]aniline
CID 82095907
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
2,3-dimethyl-N-[2-(3-methylphenoxy)ethyl]aniline
CID 54797849
2,6-dimethyl-N-[2-(4-methylphenoxy)ethyl]aniline
CID 54798215
5-chloro-2-methyl-N-[3-(3-methylphenoxy)propyl]aniline
CID 82095969
3,4-dimethyl-N-[4-(3-methylphenoxy)butyl]aniline
CID 82095952
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
N-[2-(3-methylphenoxy)ethyl]aniline
CID 54796212
N,N'-bis(2,6-dimethylphenyl)butane-1,4-diamine
CID 10982540

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[3-(3-methylphenoxy)propyl]aniline?
The IUPAC name of 2,6-dimethyl-N-[3-(3-methylphenoxy)propyl]aniline (CID 82096121) is 2,6-dimethyl-N-[3-(3-methylphenoxy)propyl]aniline.
What is the SMILES notation for 2,6-dimethyl-N-[3-(3-methylphenoxy)propyl]aniline?
The canonical SMILES for 2,6-dimethyl-N-[3-(3-methylphenoxy)propyl]aniline is Cc1cccc(OCCCNc2c(C)cccc2C)c1.
What is the InChIKey of 2,6-dimethyl-N-[3-(3-methylphenoxy)propyl]aniline?
The InChIKey is PMVCXDXQXOKGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-14-7-4-10-17(13-14)20-12-6-11-19-18-15(2)8-5-9-16(18)3/h4-5,7-10,13,19H,6,11-12H2,1-3H3.
What are the key properties of 2,6-dimethyl-N-[3-(3-methylphenoxy)propyl]aniline?
2,6-dimethyl-N-[3-(3-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 2,6-dimethyl-N-[3-(3-methylphenoxy)propyl]aniline is sourced from PubChem (CID 82096121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).