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

C18H24N2 — CID 115126473

IUPAC4-methyl-2-N-[2-methyl-2-(2-methylphenyl)propyl]benzene-1,2-diamine
SMILESCc1ccc(N)c(NCC(C)(C)c2ccccc2C)c1
InChIInChI=1S/C18H24N2/c1-13-9-10-16(19)17(11-13)20-12-18(3,4)15-8-6-5-7-14(15)2/h5-11,20H,12,19H2,1-4H3
InChIKeyJTAAZHZTAOOZSL-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.28
Rot. Bonds4

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

4-methyl-2-N-[2-methyl-2-(2-methylphenyl)propyl]benzene-1,2-diamine (PubChem CID 115126473) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-methyl-2-N-[2-methyl-2-(2-methylphenyl)propyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-methyl-2-N-[2-methyl-2-(2-methylphenyl)propyl]benzene-1,2-diamine
PubChem CID115126473
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name4-methyl-2-N-[2-methyl-2-(2-methylphenyl)propyl]benzene-1,2-diamine
SMILESCc1ccc(N)c(NCC(C)(C)c2ccccc2C)c1
InChIInChI=1S/C18H24N2/c1-13-9-10-16(19)17(11-13)20-12-18(3,4)15-8-6-5-7-14(15)2/h5-11,20H,12,19H2,1-4H3
InChIKeyJTAAZHZTAOOZSL-UHFFFAOYSA-N
XLogP4.28
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-N-[2-methyl-2-(1H-pyrrol-2-yl)propyl]benzene-1,2-diamine
CID 115126470
4-methyl-2-N-(2-methyl-2-pyridin-4-ylpropyl)benzene-1,2-diamine
CID 115126478
4-methyl-2-N-(2,2,4-trimethylpentyl)benzene-1,2-diamine
CID 115126464
2-N-(2-aminoethyl)-4-methylbenzene-1,2-diamine
CID 23104425
4-methyl-2-N-propylbenzene-1,2-diamine
CID 58056820
N-[2-methyl-2-(2-methylphenyl)propyl]cyclopropanamine
CID 62595487
4-methyl-1-N-[2-methyl-2-(3-methylphenyl)propyl]benzene-1,2-diamine
CID 115125181
N-(bromomethyl)-2-methyl-2-(2-methylphenyl)propan-1-amine
CID 115262622
2-N-[2-(2-bromophenyl)-2-methylpropyl]-3-methylbenzene-1,2-diamine
CID 115126193
5-(2-amino-5-methylanilino)pentanamide
CID 106234008
N-[2-methyl-2-(2-methylphenyl)propyl]-N'-propan-2-ylethane-1,2-diamine
CID 115206673
N-[(2-aminophenyl)methyl]-2,5-dimethylaniline
CID 66387234

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-N-[2-methyl-2-(2-methylphenyl)propyl]benzene-1,2-diamine?
The IUPAC name of 4-methyl-2-N-[2-methyl-2-(2-methylphenyl)propyl]benzene-1,2-diamine (CID 115126473) is 4-methyl-2-N-[2-methyl-2-(2-methylphenyl)propyl]benzene-1,2-diamine.
What is the SMILES notation for 4-methyl-2-N-[2-methyl-2-(2-methylphenyl)propyl]benzene-1,2-diamine?
The canonical SMILES for 4-methyl-2-N-[2-methyl-2-(2-methylphenyl)propyl]benzene-1,2-diamine is Cc1ccc(N)c(NCC(C)(C)c2ccccc2C)c1.
What is the InChIKey of 4-methyl-2-N-[2-methyl-2-(2-methylphenyl)propyl]benzene-1,2-diamine?
The InChIKey is JTAAZHZTAOOZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-13-9-10-16(19)17(11-13)20-12-18(3,4)15-8-6-5-7-14(15)2/h5-11,20H,12,19H2,1-4H3.
What are the key properties of 4-methyl-2-N-[2-methyl-2-(2-methylphenyl)propyl]benzene-1,2-diamine?
4-methyl-2-N-[2-methyl-2-(2-methylphenyl)propyl]benzene-1,2-diamine has a molecular weight of 268.40 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-N-[2-methyl-2-(2-methylphenyl)propyl]benzene-1,2-diamine is sourced from PubChem (CID 115126473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).