N'-[2-(2-chloro-4-methoxyphenyl)ethyl]ethane-1,2-diamine

C11H17ClN2O — CID 115195439

IUPACN'-[2-(2-chloro-4-methoxyphenyl)ethyl]ethane-1,2-diamine
SMILESCOc1ccc(CCNCCN)c(Cl)c1
InChIInChI=1S/C11H17ClN2O/c1-15-10-3-2-9(11(12)8-10)4-6-14-7-5-13/h2-3,8,14H,4-7,13H2,1H3
InChIKeyFCQOIDBTQAIRGO-UHFFFAOYSA-N
MW228.72 g/mol
LogP1.44
Rot. Bonds6

About N'-[2-(2-chloro-4-methoxyphenyl)ethyl]ethane-1,2-diamine

N'-[2-(2-chloro-4-methoxyphenyl)ethyl]ethane-1,2-diamine (PubChem CID 115195439) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is N'-[2-(2-chloro-4-methoxyphenyl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(2-chloro-4-methoxyphenyl)ethyl]ethane-1,2-diamine
PubChem CID115195439
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC NameN'-[2-(2-chloro-4-methoxyphenyl)ethyl]ethane-1,2-diamine
SMILESCOc1ccc(CCNCCN)c(Cl)c1
InChIInChI=1S/C11H17ClN2O/c1-15-10-3-2-9(11(12)8-10)4-6-14-7-5-13/h2-3,8,14H,4-7,13H2,1H3
InChIKeyFCQOIDBTQAIRGO-UHFFFAOYSA-N
XLogP1.44
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(2-chloro-4-methoxyphenyl)ethylamino]butan-1-ol
CID 115217795
1-[2-(2-chloro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 112513366
3-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]propanamide
CID 115153007
2-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]acetamide
CID 96676269
(2-chloro-4-methoxyphenyl)methanamine
CID 22467642
1-amino-3-[2-(2-chloro-4-methoxyphenyl)ethyl]urea
CID 115192925
2-(2-chloro-4-methoxyphenyl)ethylcarbamic acid
CID 115171143
4-(2-chloro-4-methoxyphenyl)-N-(2-methylpropyl)butan-1-amine
CID 65303527
1-(3-bromopropyl)-2-chloro-4-methoxybenzene
CID 83942409
3-[(2-chloro-4-methoxyphenyl)methylamino]propane-1-thiol
CID 115224893
2-(2-chloro-4-methoxyphenyl)ethanol
CID 66697098
2-[[2-(2-chloro-4-methoxyphenyl)ethylamino]methyl]butanenitrile
CID 115254045

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-chloro-4-methoxyphenyl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(2-chloro-4-methoxyphenyl)ethyl]ethane-1,2-diamine (CID 115195439) is N'-[2-(2-chloro-4-methoxyphenyl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(2-chloro-4-methoxyphenyl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(2-chloro-4-methoxyphenyl)ethyl]ethane-1,2-diamine is COc1ccc(CCNCCN)c(Cl)c1.
What is the InChIKey of N'-[2-(2-chloro-4-methoxyphenyl)ethyl]ethane-1,2-diamine?
The InChIKey is FCQOIDBTQAIRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-15-10-3-2-9(11(12)8-10)4-6-14-7-5-13/h2-3,8,14H,4-7,13H2,1H3.
What are the key properties of N'-[2-(2-chloro-4-methoxyphenyl)ethyl]ethane-1,2-diamine?
N'-[2-(2-chloro-4-methoxyphenyl)ethyl]ethane-1,2-diamine has a molecular weight of 228.72 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-chloro-4-methoxyphenyl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 115195439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).