3-chloro-2-N-(2-methylbutan-2-yl)benzene-1,2-diamine

C11H17ClN2 — CID 29066258

IUPAC3-chloro-2-N-(2-methylbutan-2-yl)benzene-1,2-diamine
SMILESCCC(C)(C)Nc1c(N)cccc1Cl
InChIInChI=1S/C11H17ClN2/c1-4-11(2,3)14-10-8(12)6-5-7-9(10)13/h5-7,14H,4,13H2,1-3H3
InChIKeyUCBMGEBGNVMMBB-UHFFFAOYSA-N
MW212.72 g/mol
LogP3.52
Rot. Bonds3

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

3-chloro-2-N-(2-methylbutan-2-yl)benzene-1,2-diamine (PubChem CID 29066258) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is 3-chloro-2-N-(2-methylbutan-2-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-chloro-2-N-(2-methylbutan-2-yl)benzene-1,2-diamine
PubChem CID29066258
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name3-chloro-2-N-(2-methylbutan-2-yl)benzene-1,2-diamine
SMILESCCC(C)(C)Nc1c(N)cccc1Cl
InChIInChI=1S/C11H17ClN2/c1-4-11(2,3)14-10-8(12)6-5-7-9(10)13/h5-7,14H,4,13H2,1-3H3
InChIKeyUCBMGEBGNVMMBB-UHFFFAOYSA-N
XLogP3.52
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 53.52
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-2-N-(2-ethyl-2-methylsulfanylbutyl)benzene-1,2-diamine
CID 114115572
3-chloro-2-N-(2,3,3-trimethylbutyl)benzene-1,2-diamine
CID 83142997
4-(2-amino-6-chloroanilino)butan-2-ol
CID 64927863
3-(2-amino-6-chloroanilino)-2-methylpropane-1,2-diol
CID 66169895
3-chloro-2-N-[(2-ethylphenyl)methyl]benzene-1,2-diamine
CID 64680255
N-(2-amino-6-chlorophenyl)-3,3-dimethylbutanamide
CID 62083909
2-tert-butyl-3-chloroaniline
CID 68787063
tert-butyl N-[2-(2-amino-6-chloroanilino)ethyl]carbamate
CID 114518019
2-(2-amino-6-chloroanilino)-N-tert-butylacetamide
CID 113293124
3-chloro-2-N-(2-chlorophenyl)benzene-1,2-diamine
CID 29067270
3-chloro-2-N-(2,2-difluoroethyl)benzene-1,2-diamine
CID 115405373
3-[(3-chloro-2-methylphenyl)methylamino]-4-(2-methylbutan-2-ylamino)cyclobut-3-ene-1,2-dione
CID 54146838

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-N-(2-methylbutan-2-yl)benzene-1,2-diamine?
The IUPAC name of 3-chloro-2-N-(2-methylbutan-2-yl)benzene-1,2-diamine (CID 29066258) is 3-chloro-2-N-(2-methylbutan-2-yl)benzene-1,2-diamine.
What is the SMILES notation for 3-chloro-2-N-(2-methylbutan-2-yl)benzene-1,2-diamine?
The canonical SMILES for 3-chloro-2-N-(2-methylbutan-2-yl)benzene-1,2-diamine is CCC(C)(C)Nc1c(N)cccc1Cl.
What is the InChIKey of 3-chloro-2-N-(2-methylbutan-2-yl)benzene-1,2-diamine?
The InChIKey is UCBMGEBGNVMMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-4-11(2,3)14-10-8(12)6-5-7-9(10)13/h5-7,14H,4,13H2,1-3H3.
What are the key properties of 3-chloro-2-N-(2-methylbutan-2-yl)benzene-1,2-diamine?
3-chloro-2-N-(2-methylbutan-2-yl)benzene-1,2-diamine has a molecular weight of 212.72 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-N-(2-methylbutan-2-yl)benzene-1,2-diamine is sourced from PubChem (CID 29066258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).