2-N,3-dimethyl-2-N-(2-methyl-5-propan-2-ylphenyl)benzene-1,2-diamine

C18H24N2 — CID 115126020

IUPAC2-N,3-dimethyl-2-N-(2-methyl-5-propan-2-ylphenyl)benzene-1,2-diamine
SMILESCc1ccc(C(C)C)cc1N(C)c1c(C)cccc1N
InChIInChI=1S/C18H24N2/c1-12(2)15-10-9-13(3)17(11-15)20(5)18-14(4)7-6-8-16(18)19/h6-12H,19H2,1-5H3
InChIKeyGDGKIJUJNPRZMG-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.78
Rot. Bonds3

About 2-N,3-dimethyl-2-N-(2-methyl-5-propan-2-ylphenyl)benzene-1,2-diamine

2-N,3-dimethyl-2-N-(2-methyl-5-propan-2-ylphenyl)benzene-1,2-diamine (PubChem CID 115126020) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-N,3-dimethyl-2-N-(2-methyl-5-propan-2-ylphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N,3-dimethyl-2-N-(2-methyl-5-propan-2-ylphenyl)benzene-1,2-diamine
PubChem CID115126020
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name2-N,3-dimethyl-2-N-(2-methyl-5-propan-2-ylphenyl)benzene-1,2-diamine
SMILESCc1ccc(C(C)C)cc1N(C)c1c(C)cccc1N
InChIInChI=1S/C18H24N2/c1-12(2)15-10-9-13(3)17(11-15)20(5)18-14(4)7-6-8-16(18)19/h6-12H,19H2,1-5H3
InChIKeyGDGKIJUJNPRZMG-UHFFFAOYSA-N
XLogP4.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(aminomethyl)phenyl]-N,2-dimethyl-5-propan-2-ylaniline
CID 117041530
2-methyl-5-propan-2-ylaniline;hydrochloride
CID 70565459
2-N-[1-(4-chlorophenyl)ethyl]-2-N,3-dimethylbenzene-1,2-diamine
CID 115550477
methyl-(2-methyl-5-propan-2-ylphenyl)cyanamide
CID 117043228
N-(chloromethyl)-N,2-dimethyl-5-propan-2-ylaniline
CID 115262883
2-N-(4-fluorophenyl)-2-N,3-dimethylbenzene-1,2-diamine
CID 115550393
2-N-(3,4-difluorophenyl)-2-N,3-dimethylbenzene-1,2-diamine
CID 115126009
3-methyl-2-N-[(2-methyl-5-propan-2-ylphenyl)methyl]benzene-1,2-diamine
CID 115126067
2-N-ethyl-2-N,3-dimethylbenzene-1,2-diamine
CID 115550058
2-(N,2-dimethyl-5-propan-2-ylanilino)acetonitrile
CID 115130881
3-amino-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)butanamide
CID 115154101
1-N,4-dimethyl-1-N-(2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine
CID 115205259

Frequently Asked Questions

What is the IUPAC name of 2-N,3-dimethyl-2-N-(2-methyl-5-propan-2-ylphenyl)benzene-1,2-diamine?
The IUPAC name of 2-N,3-dimethyl-2-N-(2-methyl-5-propan-2-ylphenyl)benzene-1,2-diamine (CID 115126020) is 2-N,3-dimethyl-2-N-(2-methyl-5-propan-2-ylphenyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N,3-dimethyl-2-N-(2-methyl-5-propan-2-ylphenyl)benzene-1,2-diamine?
The canonical SMILES for 2-N,3-dimethyl-2-N-(2-methyl-5-propan-2-ylphenyl)benzene-1,2-diamine is Cc1ccc(C(C)C)cc1N(C)c1c(C)cccc1N.
What is the InChIKey of 2-N,3-dimethyl-2-N-(2-methyl-5-propan-2-ylphenyl)benzene-1,2-diamine?
The InChIKey is GDGKIJUJNPRZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-12(2)15-10-9-13(3)17(11-15)20(5)18-14(4)7-6-8-16(18)19/h6-12H,19H2,1-5H3.
What are the key properties of 2-N,3-dimethyl-2-N-(2-methyl-5-propan-2-ylphenyl)benzene-1,2-diamine?
2-N,3-dimethyl-2-N-(2-methyl-5-propan-2-ylphenyl)benzene-1,2-diamine has a molecular weight of 268.40 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-dimethyl-2-N-(2-methyl-5-propan-2-ylphenyl)benzene-1,2-diamine is sourced from PubChem (CID 115126020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).