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

C19H25NO — CID 82095952

IUPAC3,4-dimethyl-N-[4-(3-methylphenoxy)butyl]aniline
SMILESCc1cccc(OCCCCNc2ccc(C)c(C)c2)c1
InChIInChI=1S/C19H25NO/c1-15-7-6-8-19(13-15)21-12-5-4-11-20-18-10-9-16(2)17(3)14-18/h6-10,13-14,20H,4-5,11-12H2,1-3H3
InChIKeySXZWTPFOVZBJOQ-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.88
Rot. Bonds7

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

3,4-dimethyl-N-[4-(3-methylphenoxy)butyl]aniline (PubChem CID 82095952) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 3,4-dimethyl-N-[4-(3-methylphenoxy)butyl]aniline.

Molecular Properties

Compound Name3,4-dimethyl-N-[4-(3-methylphenoxy)butyl]aniline
PubChem CID82095952
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name3,4-dimethyl-N-[4-(3-methylphenoxy)butyl]aniline
SMILESCc1cccc(OCCCCNc2ccc(C)c(C)c2)c1
InChIInChI=1S/C19H25NO/c1-15-7-6-8-19(13-15)21-12-5-4-11-20-18-10-9-16(2)17(3)14-18/h6-10,13-14,20H,4-5,11-12H2,1-3H3
InChIKeySXZWTPFOVZBJOQ-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-methyl-4-N-[2-(3-methylphenoxy)ethyl]benzene-1,4-diamine
CID 55012527
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
2,3-dimethyl-N-[4-(3-methylphenoxy)butyl]aniline
CID 82095907
N-[4-(4-chlorophenoxy)butyl]-3,4-dimethylaniline
CID 82095955
2,6-dimethyl-N-[3-(3-methylphenoxy)propyl]aniline
CID 82096121
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
2-methoxy-5-methyl-N-[4-(3-methylphenoxy)butyl]aniline
CID 82096578
N-(3,4-dimethylphenyl)-N'-(3-methylphenyl)ethane-1,2-diamine
CID 54806214
N-[2-(3-methylphenoxy)ethyl]aniline
CID 54796212
2-ethyl-6-methyl-N-[4-(3-methylphenoxy)butyl]aniline
CID 82096296
N-butyl-6-(3-methylphenoxy)hexan-1-amine
CID 2249508
3-[2-(3-methylphenoxy)ethylamino]benzoic acid
CID 82096040

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[4-(3-methylphenoxy)butyl]aniline?
The IUPAC name of 3,4-dimethyl-N-[4-(3-methylphenoxy)butyl]aniline (CID 82095952) is 3,4-dimethyl-N-[4-(3-methylphenoxy)butyl]aniline.
What is the SMILES notation for 3,4-dimethyl-N-[4-(3-methylphenoxy)butyl]aniline?
The canonical SMILES for 3,4-dimethyl-N-[4-(3-methylphenoxy)butyl]aniline is Cc1cccc(OCCCCNc2ccc(C)c(C)c2)c1.
What is the InChIKey of 3,4-dimethyl-N-[4-(3-methylphenoxy)butyl]aniline?
The InChIKey is SXZWTPFOVZBJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-15-7-6-8-19(13-15)21-12-5-4-11-20-18-10-9-16(2)17(3)14-18/h6-10,13-14,20H,4-5,11-12H2,1-3H3.
What are the key properties of 3,4-dimethyl-N-[4-(3-methylphenoxy)butyl]aniline?
3,4-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 3,4-dimethyl-N-[4-(3-methylphenoxy)butyl]aniline is sourced from PubChem (CID 82095952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).