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

C10H15ClN2 — CID 68721117

IUPAC1-N-tert-butyl-3-chlorobenzene-1,2-diamine
SMILESCC(C)(C)Nc1cccc(Cl)c1N
InChIInChI=1S/C10H15ClN2/c1-10(2,3)13-8-6-4-5-7(11)9(8)12/h4-6,13H,12H2,1-3H3
InChIKeyWSPVHQWGRFRDGU-UHFFFAOYSA-N
MW198.70 g/mol
LogP3.13
Rot. Bonds1

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

1-N-tert-butyl-3-chlorobenzene-1,2-diamine (PubChem CID 68721117) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 1-N-tert-butyl-3-chlorobenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-3-chlorobenzene-1,2-diamine
PubChem CID68721117
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name1-N-tert-butyl-3-chlorobenzene-1,2-diamine
SMILESCC(C)(C)Nc1cccc(Cl)c1N
InChIInChI=1S/C10H15ClN2/c1-10(2,3)13-8-6-4-5-7(11)9(8)12/h4-6,13H,12H2,1-3H3
InChIKeyWSPVHQWGRFRDGU-UHFFFAOYSA-N
XLogP3.13
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 53.13
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-chloro-1-N-(2,2-dimethylpropyl)benzene-1,2-diamine
CID 104834204
1-(2-amino-3-chloroanilino)-2-methylpropan-2-ol
CID 104834636
3-chloro-1-N-(2,3,3-trimethylbutyl)benzene-1,2-diamine
CID 104834817
3-chloro-1-N-(2,3-dimethylphenyl)benzene-1,2-diamine
CID 104834056
2-amino-3-(tert-butylamino)benzenesulfonamide
CID 112674632
3-chloro-1-N-(5,5,5-trifluoropentyl)benzene-1,2-diamine
CID 104834782
1-N,5-N-ditert-butylnaphthalene-1,5-diamine
CID 58895651
3-chloro-1-N-(2-ethyl-2-methylsulfanylbutyl)benzene-1,2-diamine
CID 114115597
2-amino-3-(tert-butylamino)-N,N-dimethylbenzenesulfonamide
CID 107115613
3-chloro-1-N-hexylbenzene-1,2-diamine
CID 104834589
3-chloro-1-N-decylbenzene-1,2-diamine
CID 104834723
2-N-tert-butylbenzene-1,2-diamine;hydrochloride
CID 91654382

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-3-chlorobenzene-1,2-diamine?
The IUPAC name of 1-N-tert-butyl-3-chlorobenzene-1,2-diamine (CID 68721117) is 1-N-tert-butyl-3-chlorobenzene-1,2-diamine.
What is the SMILES notation for 1-N-tert-butyl-3-chlorobenzene-1,2-diamine?
The canonical SMILES for 1-N-tert-butyl-3-chlorobenzene-1,2-diamine is CC(C)(C)Nc1cccc(Cl)c1N.
What is the InChIKey of 1-N-tert-butyl-3-chlorobenzene-1,2-diamine?
The InChIKey is WSPVHQWGRFRDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2/c1-10(2,3)13-8-6-4-5-7(11)9(8)12/h4-6,13H,12H2,1-3H3.
What are the key properties of 1-N-tert-butyl-3-chlorobenzene-1,2-diamine?
1-N-tert-butyl-3-chlorobenzene-1,2-diamine has a molecular weight of 198.70 g/mol, XLogP of 3.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-3-chlorobenzene-1,2-diamine is sourced from PubChem (CID 68721117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).