4-N-methyl-4-N-[2-(2,4,5-trimethylphenyl)ethyl]benzene-1,4-diamine

C18H24N2 — CID 117041329

IUPAC4-N-methyl-4-N-[2-(2,4,5-trimethylphenyl)ethyl]benzene-1,4-diamine
SMILESCc1cc(C)c(CCN(C)c2ccc(N)cc2)cc1C
InChIInChI=1S/C18H24N2/c1-13-11-15(3)16(12-14(13)2)9-10-20(4)18-7-5-17(19)6-8-18/h5-8,11-12H,9-10,19H2,1-4H3
InChIKeyBIQBAISDIMQMFW-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.87
Rot. Bonds4

About 4-N-methyl-4-N-[2-(2,4,5-trimethylphenyl)ethyl]benzene-1,4-diamine

4-N-methyl-4-N-[2-(2,4,5-trimethylphenyl)ethyl]benzene-1,4-diamine (PubChem CID 117041329) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-N-methyl-4-N-[2-(2,4,5-trimethylphenyl)ethyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[2-(2,4,5-trimethylphenyl)ethyl]benzene-1,4-diamine
PubChem CID117041329
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name4-N-methyl-4-N-[2-(2,4,5-trimethylphenyl)ethyl]benzene-1,4-diamine
SMILESCc1cc(C)c(CCN(C)c2ccc(N)cc2)cc1C
InChIInChI=1S/C18H24N2/c1-13-11-15(3)16(12-14(13)2)9-10-20(4)18-7-5-17(19)6-8-18/h5-8,11-12H,9-10,19H2,1-4H3
InChIKeyBIQBAISDIMQMFW-UHFFFAOYSA-N
XLogP3.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.87
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

2-N-methyl-2-N-[2-(2,4,5-trimethylphenyl)ethyl]benzene-1,2-diamine
CID 115124630
4-N-[2-(2-methoxyphenyl)ethyl]-4-N-methylbenzene-1,4-diamine
CID 117041340
4-N-methyl-4-N-[2-(4-methylphenyl)ethyl]benzene-1,4-diamine
CID 117041307
4-N-methyl-4-N-[2-(3-methylphenyl)ethyl]benzene-1,4-diamine
CID 117041336
3-N-[2-(2,4-dimethylphenyl)ethyl]-3-N-methylbenzene-1,3-diamine
CID 117041004
N'-[4-(2-aminoethyl)-3-methylphenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63783958
[methyl-[2-(2,4,5-trimethylphenyl)ethyl]amino]methanethiol
CID 115228428
2-(4-amino-N-methylanilino)ethyl-trimethylazanium
CID 23132182
4-N-methyl-4-N-pentylbenzene-1,4-diamine
CID 28894857
4-[2-[N-methyl-4-(2-methylpropyl)anilino]ethyl]aniline
CID 139610100
3-N-methyl-3-N-[(2,4,5-trimethylphenyl)methyl]benzene-1,3-diamine
CID 117040974
4-N-methyl-4-N-[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 28894681

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-[2-(2,4,5-trimethylphenyl)ethyl]benzene-1,4-diamine?
The IUPAC name of 4-N-methyl-4-N-[2-(2,4,5-trimethylphenyl)ethyl]benzene-1,4-diamine (CID 117041329) is 4-N-methyl-4-N-[2-(2,4,5-trimethylphenyl)ethyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[2-(2,4,5-trimethylphenyl)ethyl]benzene-1,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-[2-(2,4,5-trimethylphenyl)ethyl]benzene-1,4-diamine is Cc1cc(C)c(CCN(C)c2ccc(N)cc2)cc1C.
What is the InChIKey of 4-N-methyl-4-N-[2-(2,4,5-trimethylphenyl)ethyl]benzene-1,4-diamine?
The InChIKey is BIQBAISDIMQMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-13-11-15(3)16(12-14(13)2)9-10-20(4)18-7-5-17(19)6-8-18/h5-8,11-12H,9-10,19H2,1-4H3.
What are the key properties of 4-N-methyl-4-N-[2-(2,4,5-trimethylphenyl)ethyl]benzene-1,4-diamine?
4-N-methyl-4-N-[2-(2,4,5-trimethylphenyl)ethyl]benzene-1,4-diamine has a molecular weight of 268.40 g/mol, XLogP of 3.87, 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-(2,4,5-trimethylphenyl)ethyl]benzene-1,4-diamine is sourced from PubChem (CID 117041329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).