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

C18H23NO — CID 54797800

IUPAC2,3-dimethyl-N-[2-(3-methylphenoxy)propyl]aniline
SMILESCc1cccc(OC(C)CNc2cccc(C)c2C)c1
InChIInChI=1S/C18H23NO/c1-13-7-5-9-17(11-13)20-15(3)12-19-18-10-6-8-14(2)16(18)4/h5-11,15,19H,12H2,1-4H3
InChIKeyYFAZBQIESLPQHF-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.49
Rot. Bonds5

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

2,3-dimethyl-N-[2-(3-methylphenoxy)propyl]aniline (PubChem CID 54797800) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2,3-dimethyl-N-[2-(3-methylphenoxy)propyl]aniline.

Molecular Properties

Compound Name2,3-dimethyl-N-[2-(3-methylphenoxy)propyl]aniline
PubChem CID54797800
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2,3-dimethyl-N-[2-(3-methylphenoxy)propyl]aniline
SMILESCc1cccc(OC(C)CNc2cccc(C)c2C)c1
InChIInChI=1S/C18H23NO/c1-13-7-5-9-17(11-13)20-15(3)12-19-18-10-6-8-14(2)16(18)4/h5-11,15,19H,12H2,1-4H3
InChIKeyYFAZBQIESLPQHF-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

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Related Compounds

2,3-dimethyl-N-[2-(3-methylphenoxy)ethyl]aniline
CID 54797849
(2R)-N-(2,3-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 2640909
N-(2,3-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 4931110
3-ethoxy-N-[2-(3-methylphenoxy)propyl]aniline
CID 46736308
2,3-dimethyl-N-[4-(3-methylphenoxy)butyl]aniline
CID 82095907
methyl 3-(2,3-dimethylanilino)-2-methylpropanoate
CID 43538570
4-hexoxy-N-[2-(3-methylphenoxy)propyl]aniline
CID 54798879
1-methyl-N-[2-(3-methylphenoxy)propyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971444
N-[2-(4-methylphenoxy)propyl]naphthalen-1-amine
CID 54795940
N'-(2,3-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54809939
2-methyl-3-(methylamino)-N-[2-(3-methylphenoxy)propyl]propanamide;hydrochloride
CID 119804933
5-[2-(3-methylphenoxy)propylamino]pyrazine-2-carboxylic acid
CID 122048078

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[2-(3-methylphenoxy)propyl]aniline?
The IUPAC name of 2,3-dimethyl-N-[2-(3-methylphenoxy)propyl]aniline (CID 54797800) is 2,3-dimethyl-N-[2-(3-methylphenoxy)propyl]aniline.
What is the SMILES notation for 2,3-dimethyl-N-[2-(3-methylphenoxy)propyl]aniline?
The canonical SMILES for 2,3-dimethyl-N-[2-(3-methylphenoxy)propyl]aniline is Cc1cccc(OC(C)CNc2cccc(C)c2C)c1.
What is the InChIKey of 2,3-dimethyl-N-[2-(3-methylphenoxy)propyl]aniline?
The InChIKey is YFAZBQIESLPQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-13-7-5-9-17(11-13)20-15(3)12-19-18-10-6-8-14(2)16(18)4/h5-11,15,19H,12H2,1-4H3.
What are the key properties of 2,3-dimethyl-N-[2-(3-methylphenoxy)propyl]aniline?
2,3-dimethyl-N-[2-(3-methylphenoxy)propyl]aniline has a molecular weight of 269.39 g/mol, XLogP of 4.49, 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)propyl]aniline is sourced from PubChem (CID 54797800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).