3-chloro-2-N-(5-methylfuran-2-yl)benzene-1,2-diamine

C11H11ClN2O — CID 115126889

IUPAC3-chloro-2-N-(5-methylfuran-2-yl)benzene-1,2-diamine
SMILESCc1ccc(Nc2c(N)cccc2Cl)o1
InChIInChI=1S/C11H11ClN2O/c1-7-5-6-10(15-7)14-11-8(12)3-2-4-9(11)13/h2-6,14H,13H2,1H3
InChIKeyVQNYXPCHJJZKQD-UHFFFAOYSA-N
MW222.68 g/mol
LogP3.57
Rot. Bonds2

About 3-chloro-2-N-(5-methylfuran-2-yl)benzene-1,2-diamine

3-chloro-2-N-(5-methylfuran-2-yl)benzene-1,2-diamine (PubChem CID 115126889) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 3-chloro-2-N-(5-methylfuran-2-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-chloro-2-N-(5-methylfuran-2-yl)benzene-1,2-diamine
PubChem CID115126889
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name3-chloro-2-N-(5-methylfuran-2-yl)benzene-1,2-diamine
SMILESCc1ccc(Nc2c(N)cccc2Cl)o1
InChIInChI=1S/C11H11ClN2O/c1-7-5-6-10(15-7)14-11-8(12)3-2-4-9(11)13/h2-6,14H,13H2,1H3
InChIKeyVQNYXPCHJJZKQD-UHFFFAOYSA-N
XLogP3.57
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-N-(2-chlorophenyl)benzene-1,2-diamine
CID 29067270
3-chloro-2-N-(4-ethoxyphenyl)benzene-1,2-diamine
CID 29066424
3-chloro-2-N-(3,5-dimethoxyphenyl)benzene-1,2-diamine
CID 43148696
N-(2-amino-6-chlorophenyl)-3-hydroxy-2-methylbenzamide
CID 82827421
3-chloro-2-N-(4-methoxy-3-methylphenyl)benzene-1,2-diamine
CID 54964711
3-chloro-2-N-[3-(dimethylamino)phenyl]benzene-1,2-diamine
CID 113297464
3-chloro-2-N-(3-iodophenyl)benzene-1,2-diamine
CID 29067112
2-N-(2-chloro-6-methylphenyl)-1,3-benzoxazole-2,4-diamine
CID 79892446
3-chloro-2-N-[2-methyl-5-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 66479323
(5-methylfuran-2-yl)hydrazine
CID 116964871
ethyl 2-[4-(2-amino-6-chloroanilino)phenyl]propanoate
CID 91569501
3-chloro-2-N-(3,4,5-trimethoxyphenyl)benzene-1,2-diamine
CID 29066564

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-N-(5-methylfuran-2-yl)benzene-1,2-diamine?
The IUPAC name of 3-chloro-2-N-(5-methylfuran-2-yl)benzene-1,2-diamine (CID 115126889) is 3-chloro-2-N-(5-methylfuran-2-yl)benzene-1,2-diamine.
What is the SMILES notation for 3-chloro-2-N-(5-methylfuran-2-yl)benzene-1,2-diamine?
The canonical SMILES for 3-chloro-2-N-(5-methylfuran-2-yl)benzene-1,2-diamine is Cc1ccc(Nc2c(N)cccc2Cl)o1.
What is the InChIKey of 3-chloro-2-N-(5-methylfuran-2-yl)benzene-1,2-diamine?
The InChIKey is VQNYXPCHJJZKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-7-5-6-10(15-7)14-11-8(12)3-2-4-9(11)13/h2-6,14H,13H2,1H3.
What are the key properties of 3-chloro-2-N-(5-methylfuran-2-yl)benzene-1,2-diamine?
3-chloro-2-N-(5-methylfuran-2-yl)benzene-1,2-diamine has a molecular weight of 222.68 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-N-(5-methylfuran-2-yl)benzene-1,2-diamine is sourced from PubChem (CID 115126889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).