4,5-di(propan-2-yl)benzene-1,2-diamine

C12H20N2 — CID 122607621

IUPAC4,5-di(propan-2-yl)benzene-1,2-diamine
SMILESCC(C)c1cc(N)c(N)cc1C(C)C
InChIInChI=1S/C12H20N2/c1-7(2)9-5-11(13)12(14)6-10(9)8(3)4/h5-8H,13-14H2,1-4H3
InChIKeyZHFZNIWMLXWUET-UHFFFAOYSA-N
MW192.31 g/mol
LogP3.10
Rot. Bonds2

About 4,5-di(propan-2-yl)benzene-1,2-diamine

4,5-di(propan-2-yl)benzene-1,2-diamine (PubChem CID 122607621) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 4,5-di(propan-2-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name4,5-di(propan-2-yl)benzene-1,2-diamine
PubChem CID122607621
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name4,5-di(propan-2-yl)benzene-1,2-diamine
SMILESCC(C)c1cc(N)c(N)cc1C(C)C
InChIInChI=1S/C12H20N2/c1-7(2)9-5-11(13)12(14)6-10(9)8(3)4/h5-8H,13-14H2,1-4H3
InChIKeyZHFZNIWMLXWUET-UHFFFAOYSA-N
XLogP3.10
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.10
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

3,4-dimethyl-2,5-di(propan-2-yl)aniline
CID 19747078
4-[[4-amino-2,6-di(propan-2-yl)phenyl]methyl]-3,5-di(propan-2-yl)aniline
CID 3086039
4-fluoro-3-propan-2-ylaniline
CID 45090554
ethane;5-methyl-2-propan-2-ylaniline
CID 142850696
2-phenyl-5-propan-2-ylbenzene-1,4-diamine
CID 174528038
4-nitro-2,5-di(propan-2-yl)aniline
CID 21491970
4-chloro-2,6-di(propan-2-yl)aniline
CID 10889198
4-propan-2-ylbenzene-1,2,3-triamine
CID 163998803
3-[4-(5-amino-2-propan-2-ylphenyl)phenyl]-4-propan-2-ylaniline
CID 23166060
6-propan-2-yl-2,3-dihydro-1H-inden-5-amine
CID 146503682
4-[2-(4-amino-2-propan-2-ylphenyl)ethyl]-3-propan-2-ylaniline
CID 22019812
4-fluoro-5-methyl-2-propan-2-ylaniline
CID 126643926

Frequently Asked Questions

What is the IUPAC name of 4,5-di(propan-2-yl)benzene-1,2-diamine?
The IUPAC name of 4,5-di(propan-2-yl)benzene-1,2-diamine (CID 122607621) is 4,5-di(propan-2-yl)benzene-1,2-diamine.
What is the SMILES notation for 4,5-di(propan-2-yl)benzene-1,2-diamine?
The canonical SMILES for 4,5-di(propan-2-yl)benzene-1,2-diamine is CC(C)c1cc(N)c(N)cc1C(C)C.
What is the InChIKey of 4,5-di(propan-2-yl)benzene-1,2-diamine?
The InChIKey is ZHFZNIWMLXWUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-7(2)9-5-11(13)12(14)6-10(9)8(3)4/h5-8H,13-14H2,1-4H3.
What are the key properties of 4,5-di(propan-2-yl)benzene-1,2-diamine?
4,5-di(propan-2-yl)benzene-1,2-diamine has a molecular weight of 192.31 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-di(propan-2-yl)benzene-1,2-diamine is sourced from PubChem (CID 122607621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).