2,6-dimethyl-N-[2-(4-methylphenoxy)ethyl]aniline

C17H21NO — CID 54798215

IUPAC2,6-dimethyl-N-[2-(4-methylphenoxy)ethyl]aniline
SMILESCc1ccc(OCCNc2c(C)cccc2C)cc1
InChIInChI=1S/C17H21NO/c1-13-7-9-16(10-8-13)19-12-11-18-17-14(2)5-4-6-15(17)3/h4-10,18H,11-12H2,1-3H3
InChIKeyVSUKVNACCFKOTB-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.10
Rot. Bonds5

About 2,6-dimethyl-N-[2-(4-methylphenoxy)ethyl]aniline

2,6-dimethyl-N-[2-(4-methylphenoxy)ethyl]aniline (PubChem CID 54798215) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2,6-dimethyl-N-[2-(4-methylphenoxy)ethyl]aniline.

Molecular Properties

Compound Name2,6-dimethyl-N-[2-(4-methylphenoxy)ethyl]aniline
PubChem CID54798215
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2,6-dimethyl-N-[2-(4-methylphenoxy)ethyl]aniline
SMILESCc1ccc(OCCNc2c(C)cccc2C)cc1
InChIInChI=1S/C17H21NO/c1-13-7-9-16(10-8-13)19-12-11-18-17-14(2)5-4-6-15(17)3/h4-10,18H,11-12H2,1-3H3
InChIKeyVSUKVNACCFKOTB-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.10
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-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
CID 60679505
2,6-dimethyl-N-[3-(3-methylphenoxy)propyl]aniline
CID 82096121
4-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
CID 4072797
3-methyl-2-[4-(4-methylphenoxy)butylamino]benzoic acid
CID 18803430
2-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]ethanamine
CID 18793139
2,3,5,6-tetrafluoro-N-[2-(4-methylphenoxy)ethyl]pyridin-4-amine
CID 133370569
2-ethyl-6-methyl-N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]aniline
CID 54798412
2-ethyl-N-[3-(4-ethylphenoxy)propyl]-6-methylaniline
CID 82096293
N-[2-(4-methylphenoxy)ethyl]-3-(2-phenoxyethoxy)aniline
CID 54800838
4-methyl-N-[2-(4-propoxyphenoxy)ethyl]aniline
CID 63517332
N-[2-(4-methylphenoxy)ethyl]-4-propoxyaniline
CID 54799087
N-[2-(4-methylphenoxy)ethyl]-2-phenoxyethanamine;hydrochloride
CID 18793114

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[2-(4-methylphenoxy)ethyl]aniline?
The IUPAC name of 2,6-dimethyl-N-[2-(4-methylphenoxy)ethyl]aniline (CID 54798215) is 2,6-dimethyl-N-[2-(4-methylphenoxy)ethyl]aniline.
What is the SMILES notation for 2,6-dimethyl-N-[2-(4-methylphenoxy)ethyl]aniline?
The canonical SMILES for 2,6-dimethyl-N-[2-(4-methylphenoxy)ethyl]aniline is Cc1ccc(OCCNc2c(C)cccc2C)cc1.
What is the InChIKey of 2,6-dimethyl-N-[2-(4-methylphenoxy)ethyl]aniline?
The InChIKey is VSUKVNACCFKOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-13-7-9-16(10-8-13)19-12-11-18-17-14(2)5-4-6-15(17)3/h4-10,18H,11-12H2,1-3H3.
What are the key properties of 2,6-dimethyl-N-[2-(4-methylphenoxy)ethyl]aniline?
2,6-dimethyl-N-[2-(4-methylphenoxy)ethyl]aniline has a molecular weight of 255.36 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[2-(4-methylphenoxy)ethyl]aniline is sourced from PubChem (CID 54798215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).