3-chloro-2-N-(4-ethoxyphenyl)benzene-1,2-diamine

C14H15ClN2O — CID 29066424

IUPAC3-chloro-2-N-(4-ethoxyphenyl)benzene-1,2-diamine
SMILESCCOc1ccc(Nc2c(N)cccc2Cl)cc1
InChIInChI=1S/C14H15ClN2O/c1-2-18-11-8-6-10(7-9-11)17-14-12(15)4-3-5-13(14)16/h3-9,17H,2,16H2,1H3
InChIKeyWJXFEJBLAURUIP-UHFFFAOYSA-N
MW262.74 g/mol
LogP4.06
Rot. Bonds4

About 3-chloro-2-N-(4-ethoxyphenyl)benzene-1,2-diamine

3-chloro-2-N-(4-ethoxyphenyl)benzene-1,2-diamine (PubChem CID 29066424) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 3-chloro-2-N-(4-ethoxyphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-chloro-2-N-(4-ethoxyphenyl)benzene-1,2-diamine
PubChem CID29066424
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name3-chloro-2-N-(4-ethoxyphenyl)benzene-1,2-diamine
SMILESCCOc1ccc(Nc2c(N)cccc2Cl)cc1
InChIInChI=1S/C14H15ClN2O/c1-2-18-11-8-6-10(7-9-11)17-14-12(15)4-3-5-13(14)16/h3-9,17H,2,16H2,1H3
InChIKeyWJXFEJBLAURUIP-UHFFFAOYSA-N
XLogP4.06
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 54.06
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

ethyl 2-[4-(2-amino-6-chloroanilino)phenyl]propanoate
CID 91569501
1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
CID 139791472
3-chloro-2-N-(3,5-dimethoxyphenyl)benzene-1,2-diamine
CID 43148696
ethyl 8-chloro-4-(4-ethoxyanilino)quinoline-3-carboxylate
CID 1181319
3-ethoxy-2-N-(3-ethoxyphenyl)benzene-1,2-diamine
CID 140989971
4-N-(4-ethoxyphenyl)benzene-1,2,4-triamine
CID 106750281
3-chloro-2-N-(4-methoxy-3-methylphenyl)benzene-1,2-diamine
CID 54964711
3-(2,6-dichloroanilino)-N-(4-ethoxyphenyl)propanamide
CID 109039909
4-N,6-N-bis(4-ethoxyphenyl)pyrimidine-2,4,6-triamine
CID 15556985
3-chloro-2-N-(5-methylfuran-2-yl)benzene-1,2-diamine
CID 115126889
2,6-dichloro-1-N-(4-propoxyphenyl)benzene-1,4-diamine
CID 106890306
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-(4-ethoxyphenyl)benzene-1,2-diamine?
The IUPAC name of 3-chloro-2-N-(4-ethoxyphenyl)benzene-1,2-diamine (CID 29066424) is 3-chloro-2-N-(4-ethoxyphenyl)benzene-1,2-diamine.
What is the SMILES notation for 3-chloro-2-N-(4-ethoxyphenyl)benzene-1,2-diamine?
The canonical SMILES for 3-chloro-2-N-(4-ethoxyphenyl)benzene-1,2-diamine is CCOc1ccc(Nc2c(N)cccc2Cl)cc1.
What is the InChIKey of 3-chloro-2-N-(4-ethoxyphenyl)benzene-1,2-diamine?
The InChIKey is WJXFEJBLAURUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-2-18-11-8-6-10(7-9-11)17-14-12(15)4-3-5-13(14)16/h3-9,17H,2,16H2,1H3.
What are the key properties of 3-chloro-2-N-(4-ethoxyphenyl)benzene-1,2-diamine?
3-chloro-2-N-(4-ethoxyphenyl)benzene-1,2-diamine has a molecular weight of 262.74 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-N-(4-ethoxyphenyl)benzene-1,2-diamine is sourced from PubChem (CID 29066424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).