4-[2-[N-methyl-4-(2-methylpropyl)anilino]ethyl]aniline

C19H26N2 — CID 139610100

IUPAC4-[2-[N-methyl-4-(2-methylpropyl)anilino]ethyl]aniline
SMILESCC(C)Cc1ccc(N(C)CCc2ccc(N)cc2)cc1
InChIInChI=1S/C19H26N2/c1-15(2)14-17-6-10-19(11-7-17)21(3)13-12-16-4-8-18(20)9-5-16/h4-11,15H,12-14,20H2,1-3H3
InChIKeyZFWNTUHBTMZYNZ-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.15
Rot. Bonds6

About 4-[2-[N-methyl-4-(2-methylpropyl)anilino]ethyl]aniline

4-[2-[N-methyl-4-(2-methylpropyl)anilino]ethyl]aniline (PubChem CID 139610100) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 4-[2-[N-methyl-4-(2-methylpropyl)anilino]ethyl]aniline.

Molecular Properties

Compound Name4-[2-[N-methyl-4-(2-methylpropyl)anilino]ethyl]aniline
PubChem CID139610100
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name4-[2-[N-methyl-4-(2-methylpropyl)anilino]ethyl]aniline
SMILESCC(C)Cc1ccc(N(C)CCc2ccc(N)cc2)cc1
InChIInChI=1S/C19H26N2/c1-15(2)14-17-6-10-19(11-7-17)21(3)13-12-16-4-8-18(20)9-5-16/h4-11,15H,12-14,20H2,1-3H3
InChIKeyZFWNTUHBTMZYNZ-UHFFFAOYSA-N
XLogP4.15
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-methyl-4-N-[2-(4-methylphenyl)ethyl]benzene-1,4-diamine
CID 117041307
2-[N-methyl-4-(2-methylpropyl)anilino]ethanethiol
CID 115223767
4-(2-aminoethyl)-N-methyl-N-(2-methylpropyl)aniline
CID 63782370
4-[3-[methyl(3-methylbutyl)amino]propyl]aniline
CID 115341869
[N-methyl-4-(2-methylpropyl)anilino]methanol
CID 115228791
4-N-methyl-4-N-(3-phenylpropyl)benzene-1,4-diamine
CID 28894846
N'-[3-(4-aminophenyl)propyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 115341967
4-N-methyl-4-N-[2-(3-methylphenyl)ethyl]benzene-1,4-diamine
CID 117041336
4-(2-aminobutyl)-N-methyl-N-(3-methylbutyl)aniline
CID 63817257
N-(chloromethyl)-N-methyl-2-[4-(2-methylpropyl)phenyl]ethanamine
CID 115263477
[methyl-[2-[4-(2-methylpropyl)phenyl]ethyl]amino]methanethiol
CID 115228378
4-[2-[2-methylpropyl(pentan-3-yl)amino]ethyl]aniline
CID 79483188

Frequently Asked Questions

What is the IUPAC name of 4-[2-[N-methyl-4-(2-methylpropyl)anilino]ethyl]aniline?
The IUPAC name of 4-[2-[N-methyl-4-(2-methylpropyl)anilino]ethyl]aniline (CID 139610100) is 4-[2-[N-methyl-4-(2-methylpropyl)anilino]ethyl]aniline.
What is the SMILES notation for 4-[2-[N-methyl-4-(2-methylpropyl)anilino]ethyl]aniline?
The canonical SMILES for 4-[2-[N-methyl-4-(2-methylpropyl)anilino]ethyl]aniline is CC(C)Cc1ccc(N(C)CCc2ccc(N)cc2)cc1.
What is the InChIKey of 4-[2-[N-methyl-4-(2-methylpropyl)anilino]ethyl]aniline?
The InChIKey is ZFWNTUHBTMZYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-15(2)14-17-6-10-19(11-7-17)21(3)13-12-16-4-8-18(20)9-5-16/h4-11,15H,12-14,20H2,1-3H3.
What are the key properties of 4-[2-[N-methyl-4-(2-methylpropyl)anilino]ethyl]aniline?
4-[2-[N-methyl-4-(2-methylpropyl)anilino]ethyl]aniline has a molecular weight of 282.43 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[N-methyl-4-(2-methylpropyl)anilino]ethyl]aniline is sourced from PubChem (CID 139610100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).