3-chloro-4,5-diethyl-6-methoxybenzene-1,2-diamine

C11H17ClN2O — CID 151022525

IUPAC3-chloro-4,5-diethyl-6-methoxybenzene-1,2-diamine
SMILESCCc1c(Cl)c(N)c(N)c(OC)c1CC
InChIInChI=1S/C11H17ClN2O/c1-4-6-7(5-2)11(15-3)10(14)9(13)8(6)12/h4-5,13-14H2,1-3H3
InChIKeyLYJNPRJFQGTESB-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.64
Rot. Bonds3

About 3-chloro-4,5-diethyl-6-methoxybenzene-1,2-diamine

3-chloro-4,5-diethyl-6-methoxybenzene-1,2-diamine (PubChem CID 151022525) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 3-chloro-4,5-diethyl-6-methoxybenzene-1,2-diamine.

Molecular Properties

Compound Name3-chloro-4,5-diethyl-6-methoxybenzene-1,2-diamine
PubChem CID151022525
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name3-chloro-4,5-diethyl-6-methoxybenzene-1,2-diamine
SMILESCCc1c(Cl)c(N)c(N)c(OC)c1CC
InChIInChI=1S/C11H17ClN2O/c1-4-6-7(5-2)11(15-3)10(14)9(13)8(6)12/h4-5,13-14H2,1-3H3
InChIKeyLYJNPRJFQGTESB-UHFFFAOYSA-N
XLogP2.64
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.64
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

2,3-Dimethyl-5,6-diamino-1,4-dimethoxybenzene
CID 18431172
3-Chloro-4-(2-chloro-5-methoxyphenyl)-6-methoxybenzene-1,2-diamine
CID 88315376
2-Chloro-5-methoxy-3,4,6-trimethylaniline
CID 10655623
5-Chloro-2-methoxy-3,4,6-trimethylaniline
CID 116963021

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,5-diethyl-6-methoxybenzene-1,2-diamine?
The IUPAC name of 3-chloro-4,5-diethyl-6-methoxybenzene-1,2-diamine (CID 151022525) is 3-chloro-4,5-diethyl-6-methoxybenzene-1,2-diamine.
What is the SMILES notation for 3-chloro-4,5-diethyl-6-methoxybenzene-1,2-diamine?
The canonical SMILES for 3-chloro-4,5-diethyl-6-methoxybenzene-1,2-diamine is CCc1c(Cl)c(N)c(N)c(OC)c1CC.
What is the InChIKey of 3-chloro-4,5-diethyl-6-methoxybenzene-1,2-diamine?
The InChIKey is LYJNPRJFQGTESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-4-6-7(5-2)11(15-3)10(14)9(13)8(6)12/h4-5,13-14H2,1-3H3.
What are the key properties of 3-chloro-4,5-diethyl-6-methoxybenzene-1,2-diamine?
3-chloro-4,5-diethyl-6-methoxybenzene-1,2-diamine has a molecular weight of 228.72 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4,5-diethyl-6-methoxybenzene-1,2-diamine is sourced from PubChem (CID 151022525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).