3-chloro-1-N-(2,2-dimethylpropyl)benzene-1,2-diamine

C11H17ClN2 — CID 104834204

IUPAC3-chloro-1-N-(2,2-dimethylpropyl)benzene-1,2-diamine
SMILESCC(C)(C)CNc1cccc(Cl)c1N
InChIInChI=1S/C11H17ClN2/c1-11(2,3)7-14-9-6-4-5-8(12)10(9)13/h4-6,14H,7,13H2,1-3H3
InChIKeyQHPUAOIVBGFVKB-UHFFFAOYSA-N
MW212.72 g/mol
LogP3.38
Rot. Bonds2

About 3-chloro-1-N-(2,2-dimethylpropyl)benzene-1,2-diamine

3-chloro-1-N-(2,2-dimethylpropyl)benzene-1,2-diamine (PubChem CID 104834204) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is 3-chloro-1-N-(2,2-dimethylpropyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-chloro-1-N-(2,2-dimethylpropyl)benzene-1,2-diamine
PubChem CID104834204
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name3-chloro-1-N-(2,2-dimethylpropyl)benzene-1,2-diamine
SMILESCC(C)(C)CNc1cccc(Cl)c1N
InChIInChI=1S/C11H17ClN2/c1-11(2,3)7-14-9-6-4-5-8(12)10(9)13/h4-6,14H,7,13H2,1-3H3
InChIKeyQHPUAOIVBGFVKB-UHFFFAOYSA-N
XLogP3.38
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 53.38
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

1-(2-amino-3-chloroanilino)-2-methylpropan-2-ol
CID 104834636
3-chloro-1-N-(2-ethyl-2-methylsulfanylbutyl)benzene-1,2-diamine
CID 114115597
1-(2-amino-3-chloroanilino)-3-(dimethylamino)-2-methylpropan-2-ol
CID 106141808
1-N-(2,2-dimethylpropyl)-3-fluorobenzene-1,2-diamine
CID 61167849
1-N-tert-butyl-3-chlorobenzene-1,2-diamine
CID 68721117
3-chloro-1-N-(2,3,3-trimethylbutyl)benzene-1,2-diamine
CID 104834817
3-chloro-1-N-(2,2-dimethylpropyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 61326393
3-chloro-1-N-decylbenzene-1,2-diamine
CID 104834723
3-chloro-1-N-hexylbenzene-1,2-diamine
CID 104834589
1-N,2-N-bis(2,2-dimethylpropyl)benzene-1,2-diamine
CID 5250269
3-chloro-1-N-[[1-(dimethylamino)cyclopentyl]methyl]benzene-1,2-diamine
CID 104834814
2-(2-amino-3-chloroanilino)acetic acid
CID 104834433

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-N-(2,2-dimethylpropyl)benzene-1,2-diamine?
The IUPAC name of 3-chloro-1-N-(2,2-dimethylpropyl)benzene-1,2-diamine (CID 104834204) is 3-chloro-1-N-(2,2-dimethylpropyl)benzene-1,2-diamine.
What is the SMILES notation for 3-chloro-1-N-(2,2-dimethylpropyl)benzene-1,2-diamine?
The canonical SMILES for 3-chloro-1-N-(2,2-dimethylpropyl)benzene-1,2-diamine is CC(C)(C)CNc1cccc(Cl)c1N.
What is the InChIKey of 3-chloro-1-N-(2,2-dimethylpropyl)benzene-1,2-diamine?
The InChIKey is QHPUAOIVBGFVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-11(2,3)7-14-9-6-4-5-8(12)10(9)13/h4-6,14H,7,13H2,1-3H3.
What are the key properties of 3-chloro-1-N-(2,2-dimethylpropyl)benzene-1,2-diamine?
3-chloro-1-N-(2,2-dimethylpropyl)benzene-1,2-diamine has a molecular weight of 212.72 g/mol, XLogP of 3.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-N-(2,2-dimethylpropyl)benzene-1,2-diamine is sourced from PubChem (CID 104834204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).