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

C17H21NO — CID 54797849

IUPAC2,3-dimethyl-N-[2-(3-methylphenoxy)ethyl]aniline
SMILESCc1cccc(OCCNc2cccc(C)c2C)c1
InChIInChI=1S/C17H21NO/c1-13-6-4-8-16(12-13)19-11-10-18-17-9-5-7-14(2)15(17)3/h4-9,12,18H,10-11H2,1-3H3
InChIKeyXIJJBZQQZMEHBP-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.10
Rot. Bonds5

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

2,3-dimethyl-N-[2-(3-methylphenoxy)ethyl]aniline (PubChem CID 54797849) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2,3-dimethyl-N-[2-(3-methylphenoxy)ethyl]aniline.

Molecular Properties

Compound Name2,3-dimethyl-N-[2-(3-methylphenoxy)ethyl]aniline
PubChem CID54797849
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2,3-dimethyl-N-[2-(3-methylphenoxy)ethyl]aniline
SMILESCc1cccc(OCCNc2cccc(C)c2C)c1
InChIInChI=1S/C17H21NO/c1-13-6-4-8-16(12-13)19-11-10-18-17-9-5-7-14(2)15(17)3/h4-9,12,18H,10-11H2,1-3H3
InChIKeyXIJJBZQQZMEHBP-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

2,3-dimethyl-N-[4-(3-methylphenoxy)butyl]aniline
CID 82095907
2-methyl-N-[2-(3-methylphenoxy)ethyl]aniline
CID 60679514
N-[2-(4-tert-butylphenoxy)ethyl]-2,3-dimethylaniline
CID 54797775
2,6-dimethyl-N-[3-(3-methylphenoxy)propyl]aniline
CID 82096121
N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylaniline
CID 60679438
N-[2-(3-methylphenoxy)ethyl]aniline
CID 54796212
N-(2-hydroxyethyl)-2-methyl-3-[2-(3-methylphenoxy)ethylamino]benzamide
CID 111778028
5-chloro-2-methyl-N-[3-(3-methylphenoxy)propyl]aniline
CID 82095969
N-[2-(3-chlorophenoxy)ethyl]-2-methylaniline
CID 62572300
2-methyl-4-N-[2-(3-methylphenoxy)ethyl]benzene-1,4-diamine
CID 55012527
2,3-dimethyl-N-[2-(3-methylphenoxy)propyl]aniline
CID 54797800
2-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]aniline
CID 63505898

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[2-(3-methylphenoxy)ethyl]aniline?
The IUPAC name of 2,3-dimethyl-N-[2-(3-methylphenoxy)ethyl]aniline (CID 54797849) is 2,3-dimethyl-N-[2-(3-methylphenoxy)ethyl]aniline.
What is the SMILES notation for 2,3-dimethyl-N-[2-(3-methylphenoxy)ethyl]aniline?
The canonical SMILES for 2,3-dimethyl-N-[2-(3-methylphenoxy)ethyl]aniline is Cc1cccc(OCCNc2cccc(C)c2C)c1.
What is the InChIKey of 2,3-dimethyl-N-[2-(3-methylphenoxy)ethyl]aniline?
The InChIKey is XIJJBZQQZMEHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-13-6-4-8-16(12-13)19-11-10-18-17-9-5-7-14(2)15(17)3/h4-9,12,18H,10-11H2,1-3H3.
What are the key properties of 2,3-dimethyl-N-[2-(3-methylphenoxy)ethyl]aniline?
2,3-dimethyl-N-[2-(3-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 2,3-dimethyl-N-[2-(3-methylphenoxy)ethyl]aniline is sourced from PubChem (CID 54797849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).