4-N-methyl-4-N-[2-(3-methylphenyl)ethyl]benzene-1,4-diamine

C16H20N2 — CID 117041336

IUPAC4-N-methyl-4-N-[2-(3-methylphenyl)ethyl]benzene-1,4-diamine
SMILESCc1cccc(CCN(C)c2ccc(N)cc2)c1
InChIInChI=1S/C16H20N2/c1-13-4-3-5-14(12-13)10-11-18(2)16-8-6-15(17)7-9-16/h3-9,12H,10-11,17H2,1-2H3
InChIKeyHAXNSZFWSNRQGD-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.26
Rot. Bonds4

About 4-N-methyl-4-N-[2-(3-methylphenyl)ethyl]benzene-1,4-diamine

4-N-methyl-4-N-[2-(3-methylphenyl)ethyl]benzene-1,4-diamine (PubChem CID 117041336) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-N-methyl-4-N-[2-(3-methylphenyl)ethyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[2-(3-methylphenyl)ethyl]benzene-1,4-diamine
PubChem CID117041336
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name4-N-methyl-4-N-[2-(3-methylphenyl)ethyl]benzene-1,4-diamine
SMILESCc1cccc(CCN(C)c2ccc(N)cc2)c1
InChIInChI=1S/C16H20N2/c1-13-4-3-5-14(12-13)10-11-18(2)16-8-6-15(17)7-9-16/h3-9,12H,10-11,17H2,1-2H3
InChIKeyHAXNSZFWSNRQGD-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-N,4-N-dimethyl-4-N-[2-(3-methylphenyl)ethyl]benzene-1,4-diamine
CID 117041484
4-N-[2-(3-methoxyphenyl)ethyl]-4-N-methylbenzene-1,4-diamine
CID 117041341
4-N-methyl-4-N-[2-(4-methylphenyl)ethyl]benzene-1,4-diamine
CID 117041307
4-N-methyl-4-N-(3-phenylpropyl)benzene-1,4-diamine
CID 28894846
N-methyl-N-[2-(3-methylphenyl)ethyl]thiohydroxylamine
CID 129060272
4-fluoro-2-N-methyl-2-N-[2-(3-methylphenyl)ethyl]benzene-1,2-diamine
CID 115124219
4-N-methyl-4-N-[2-(2,4,5-trimethylphenyl)ethyl]benzene-1,4-diamine
CID 117041329
4-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-methylaniline
CID 117041691
[methyl-[2-(3-methylphenyl)ethyl]amino]methanol
CID 115229547
2-(3-methylphenyl)ethanamine;hydrochloride
CID 47003273
4-[2-[N-methyl-4-(2-methylpropyl)anilino]ethyl]aniline
CID 139610100
3-N-[2-(3-bromophenyl)ethyl]-3-N-methylbenzene-1,3-diamine
CID 117041027

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-[2-(3-methylphenyl)ethyl]benzene-1,4-diamine?
The IUPAC name of 4-N-methyl-4-N-[2-(3-methylphenyl)ethyl]benzene-1,4-diamine (CID 117041336) is 4-N-methyl-4-N-[2-(3-methylphenyl)ethyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[2-(3-methylphenyl)ethyl]benzene-1,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-[2-(3-methylphenyl)ethyl]benzene-1,4-diamine is Cc1cccc(CCN(C)c2ccc(N)cc2)c1.
What is the InChIKey of 4-N-methyl-4-N-[2-(3-methylphenyl)ethyl]benzene-1,4-diamine?
The InChIKey is HAXNSZFWSNRQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-13-4-3-5-14(12-13)10-11-18(2)16-8-6-15(17)7-9-16/h3-9,12H,10-11,17H2,1-2H3.
What are the key properties of 4-N-methyl-4-N-[2-(3-methylphenyl)ethyl]benzene-1,4-diamine?
4-N-methyl-4-N-[2-(3-methylphenyl)ethyl]benzene-1,4-diamine has a molecular weight of 240.35 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-[2-(3-methylphenyl)ethyl]benzene-1,4-diamine is sourced from PubChem (CID 117041336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).