2-N-tert-butyl-3-methylbenzene-1,2-diamine

C11H18N2 — CID 70363393

IUPAC2-N-tert-butyl-3-methylbenzene-1,2-diamine
SMILESCc1cccc(N)c1NC(C)(C)C
InChIInChI=1S/C11H18N2/c1-8-6-5-7-9(12)10(8)13-11(2,3)4/h5-7,13H,12H2,1-4H3
InChIKeyYRVZYDWDEMNRJI-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.79
Rot. Bonds1

About 2-N-tert-butyl-3-methylbenzene-1,2-diamine

2-N-tert-butyl-3-methylbenzene-1,2-diamine (PubChem CID 70363393) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-N-tert-butyl-3-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-tert-butyl-3-methylbenzene-1,2-diamine
PubChem CID70363393
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2-N-tert-butyl-3-methylbenzene-1,2-diamine
SMILESCc1cccc(N)c1NC(C)(C)C
InChIInChI=1S/C11H18N2/c1-8-6-5-7-9(12)10(8)13-11(2,3)4/h5-7,13H,12H2,1-4H3
InChIKeyYRVZYDWDEMNRJI-UHFFFAOYSA-N
XLogP2.79
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.79
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

3-methyl-2-N-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diamine
CID 115550347
3-bromo-2-N-tert-butylbenzene-1,2-diamine
CID 10490397
2-(2-amino-6-methylanilino)-2-(hydroxymethyl)propane-1,3-diol
CID 107845627
2-(2-amino-6-methylanilino)-2-methylbutan-1-ol
CID 115550597
2-hydrazinyl-3-methylaniline
CID 118990747
2-(2-amino-6-methylanilino)-N-tert-butylacetamide
CID 115550766
3-methyl-2-N-(2,3,3-trimethylbutyl)benzene-1,2-diamine
CID 83142598
3-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine
CID 82668611
1-(2-amino-6-methylanilino)-2-methylbutan-2-ol
CID 115550619
2-N-[1-(4-fluorophenyl)ethyl]-3-methylbenzene-1,2-diamine
CID 115550261
2-N-[1-(furan-2-yl)ethyl]-3-methylbenzene-1,2-diamine
CID 115550104
3-methyl-2-N-(1-pyridin-4-ylethyl)benzene-1,2-diamine
CID 113333687

Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-3-methylbenzene-1,2-diamine?
The IUPAC name of 2-N-tert-butyl-3-methylbenzene-1,2-diamine (CID 70363393) is 2-N-tert-butyl-3-methylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-tert-butyl-3-methylbenzene-1,2-diamine?
The canonical SMILES for 2-N-tert-butyl-3-methylbenzene-1,2-diamine is Cc1cccc(N)c1NC(C)(C)C.
What is the InChIKey of 2-N-tert-butyl-3-methylbenzene-1,2-diamine?
The InChIKey is YRVZYDWDEMNRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-8-6-5-7-9(12)10(8)13-11(2,3)4/h5-7,13H,12H2,1-4H3.
What are the key properties of 2-N-tert-butyl-3-methylbenzene-1,2-diamine?
2-N-tert-butyl-3-methylbenzene-1,2-diamine has a molecular weight of 178.28 g/mol, XLogP of 2.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-tert-butyl-3-methylbenzene-1,2-diamine is sourced from PubChem (CID 70363393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).