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

C19H25NO — CID 82095907

IUPAC2,3-dimethyl-N-[4-(3-methylphenoxy)butyl]aniline
SMILESCc1cccc(OCCCCNc2cccc(C)c2C)c1
InChIInChI=1S/C19H25NO/c1-15-8-6-10-18(14-15)21-13-5-4-12-20-19-11-7-9-16(2)17(19)3/h6-11,14,20H,4-5,12-13H2,1-3H3
InChIKeyPXLYKIGSOHELHT-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.88
Rot. Bonds7

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

2,3-dimethyl-N-[4-(3-methylphenoxy)butyl]aniline (PubChem CID 82095907) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 2,3-dimethyl-N-[4-(3-methylphenoxy)butyl]aniline.

Molecular Properties

Compound Name2,3-dimethyl-N-[4-(3-methylphenoxy)butyl]aniline
PubChem CID82095907
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name2,3-dimethyl-N-[4-(3-methylphenoxy)butyl]aniline
SMILESCc1cccc(OCCCCNc2cccc(C)c2C)c1
InChIInChI=1S/C19H25NO/c1-15-8-6-10-18(14-15)21-13-5-4-12-20-19-11-7-9-16(2)17(19)3/h6-11,14,20H,4-5,12-13H2,1-3H3
InChIKeyPXLYKIGSOHELHT-UHFFFAOYSA-N
XLogP4.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.88
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-[2-(3-methylphenoxy)ethyl]aniline
CID 54797849
2-methyl-N-[2-(3-methylphenoxy)ethyl]aniline
CID 60679514
2,6-dimethyl-N-[3-(3-methylphenoxy)propyl]aniline
CID 82096121
3,4-dimethyl-N-[4-(3-methylphenoxy)butyl]aniline
CID 82095952
2-methoxy-5-methyl-N-[4-(3-methylphenoxy)butyl]aniline
CID 82096578
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
2-ethyl-6-methyl-N-[4-(3-methylphenoxy)butyl]aniline
CID 82096296
5-chloro-2-methyl-N-[3-(3-methylphenoxy)propyl]aniline
CID 82095969
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
N-butyl-6-(3-methylphenoxy)hexan-1-amine
CID 2249508
2,3-dimethyl-N-[2-(3-methylphenoxy)propyl]aniline
CID 54797800
2-methyl-N-[3-(3-methylphenoxy)propyl]-5-nitroaniline
CID 82096153

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[4-(3-methylphenoxy)butyl]aniline?
The IUPAC name of 2,3-dimethyl-N-[4-(3-methylphenoxy)butyl]aniline (CID 82095907) is 2,3-dimethyl-N-[4-(3-methylphenoxy)butyl]aniline.
What is the SMILES notation for 2,3-dimethyl-N-[4-(3-methylphenoxy)butyl]aniline?
The canonical SMILES for 2,3-dimethyl-N-[4-(3-methylphenoxy)butyl]aniline is Cc1cccc(OCCCCNc2cccc(C)c2C)c1.
What is the InChIKey of 2,3-dimethyl-N-[4-(3-methylphenoxy)butyl]aniline?
The InChIKey is PXLYKIGSOHELHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-15-8-6-10-18(14-15)21-13-5-4-12-20-19-11-7-9-16(2)17(19)3/h6-11,14,20H,4-5,12-13H2,1-3H3.
What are the key properties of 2,3-dimethyl-N-[4-(3-methylphenoxy)butyl]aniline?
2,3-dimethyl-N-[4-(3-methylphenoxy)butyl]aniline has a molecular weight of 283.42 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[4-(3-methylphenoxy)butyl]aniline is sourced from PubChem (CID 82095907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).