4-chloro-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine

C12H13ClN2O — CID 115468900

IUPAC4-chloro-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine
SMILESCc1ccc(CNc2cc(Cl)ccc2N)o1
InChIInChI=1S/C12H13ClN2O/c1-8-2-4-10(16-8)7-15-12-6-9(13)3-5-11(12)14/h2-6,15H,7,14H2,1H3
InChIKeyGRGHAVYYENSACL-UHFFFAOYSA-N
MW236.70 g/mol
LogP3.44
Rot. Bonds3

About 4-chloro-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine

4-chloro-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine (PubChem CID 115468900) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 4-chloro-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine
PubChem CID115468900
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name4-chloro-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine
SMILESCc1ccc(CNc2cc(Cl)ccc2N)o1
InChIInChI=1S/C12H13ClN2O/c1-8-2-4-10(16-8)7-15-12-6-9(13)3-5-11(12)14/h2-6,15H,7,14H2,1H3
InChIKeyGRGHAVYYENSACL-UHFFFAOYSA-N
XLogP3.44
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 53.44
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

5-chloro-2-fluoro-N-[(5-methylfuran-2-yl)methyl]aniline
CID 43438391
4-chloro-N-[(5-methylfuran-2-yl)methyl]-2-(trifluoromethyl)aniline
CID 28548305
5-chloro-N-[(5-methylfuran-2-yl)methyl]-2-propoxyaniline
CID 54864869
2-amino-5-chloro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 62522972
4-amino-N,N-dimethyl-3-[(5-methylfuran-2-yl)methylamino]benzamide
CID 63358984
4-chloro-2-N-[(3-methylphenyl)methyl]benzene-1,2-diamine
CID 113315630
2-methyl-4-N-[(5-methylfuran-2-yl)methyl]benzene-1,4-diamine
CID 62523846
2-chloro-N-[(5-methylfuran-2-yl)methyl]thiophen-3-amine
CID 130671044
2-chloro-4,5-dimethoxy-N-[(5-methylfuran-2-yl)methyl]aniline
CID 43712372
4-chloro-2-N-[(4-propan-2-ylphenyl)methyl]benzene-1,2-diamine
CID 11254350
4-chloro-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1,2-diamine
CID 115468699
4-chloro-2-N-[(2-methylpyrazol-3-yl)methyl]benzene-1,2-diamine
CID 115468972

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine?
The IUPAC name of 4-chloro-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine (CID 115468900) is 4-chloro-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 4-chloro-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine?
The canonical SMILES for 4-chloro-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine is Cc1ccc(CNc2cc(Cl)ccc2N)o1.
What is the InChIKey of 4-chloro-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine?
The InChIKey is GRGHAVYYENSACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-8-2-4-10(16-8)7-15-12-6-9(13)3-5-11(12)14/h2-6,15H,7,14H2,1H3.
What are the key properties of 4-chloro-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine?
4-chloro-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine has a molecular weight of 236.70 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 115468900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).