N-cyclopropyl-1-(2,3-dichlorophenyl)-N-ethylethane-1,2-diamine

C13H18Cl2N2 — CID 43264069

IUPACN-cyclopropyl-1-(2,3-dichlorophenyl)-N-ethylethane-1,2-diamine
SMILESCCN(C1CC1)C(CN)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H18Cl2N2/c1-2-17(9-6-7-9)12(8-16)10-4-3-5-11(14)13(10)15/h3-5,9,12H,2,6-8,16H2,1H3
InChIKeyDSWLNVQQRZPPNL-UHFFFAOYSA-N
MW273.21 g/mol
LogP3.48
Rot. Bonds5

About N-cyclopropyl-1-(2,3-dichlorophenyl)-N-ethylethane-1,2-diamine

N-cyclopropyl-1-(2,3-dichlorophenyl)-N-ethylethane-1,2-diamine (PubChem CID 43264069) has the molecular formula C13H18Cl2N2 and a molecular weight of 273.21 g/mol. Its IUPAC name is N-cyclopropyl-1-(2,3-dichlorophenyl)-N-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-1-(2,3-dichlorophenyl)-N-ethylethane-1,2-diamine
PubChem CID43264069
Molecular FormulaC13H18Cl2N2
Molecular Weight273.21 g/mol
Exact Mass272.08
IUPAC NameN-cyclopropyl-1-(2,3-dichlorophenyl)-N-ethylethane-1,2-diamine
SMILESCCN(C1CC1)C(CN)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H18Cl2N2/c1-2-17(9-6-7-9)12(8-16)10-4-3-5-11(14)13(10)15/h3-5,9,12H,2,6-8,16H2,1H3
InChIKeyDSWLNVQQRZPPNL-UHFFFAOYSA-N
XLogP3.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-1-(2,6-dichlorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 55002202
1-(3-chloro-4-fluorophenyl)-N-cyclopropyl-N-ethylethane-1,2-diamine
CID 81144895
1-(3-chloro-2-fluorophenyl)-N-cyclopropyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 114487836
N-cyclopropyl-1-(2,5-dimethylphenyl)-N-ethylethane-1,2-diamine
CID 54977845
N-cyclopropyl-1-(2,5-dimethoxyphenyl)-N-ethylethane-1,2-diamine
CID 43263961
N-cyclohexyl-1-(2-ethoxyphenyl)-N-ethylethane-1,2-diamine
CID 43180403
N-cyclopropyl-1-[4-(difluoromethyl)phenyl]-N-ethylethane-1,2-diamine
CID 113328405
1-(3-chloro-4-fluorophenyl)-N-cyclopentyl-N-ethylethane-1,2-diamine
CID 81144764
N-cyclopropyl-N-ethyl-1-(2-fluoro-5-methylphenyl)ethane-1,2-diamine
CID 114053998
N-cyclopentyl-1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine
CID 43540885
N-cyclohexyl-1-(3,5-dichlorophenyl)-N-ethylethane-1,2-diamine
CID 60790302
2-N-cyclopropyl-1-N-[1-(2,3-dichlorophenyl)ethyl]-2-N-methylpropane-1,2-diamine
CID 103781583

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(2,3-dichlorophenyl)-N-ethylethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-1-(2,3-dichlorophenyl)-N-ethylethane-1,2-diamine (CID 43264069) is N-cyclopropyl-1-(2,3-dichlorophenyl)-N-ethylethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-1-(2,3-dichlorophenyl)-N-ethylethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-1-(2,3-dichlorophenyl)-N-ethylethane-1,2-diamine is CCN(C1CC1)C(CN)c1cccc(Cl)c1Cl.
What is the InChIKey of N-cyclopropyl-1-(2,3-dichlorophenyl)-N-ethylethane-1,2-diamine?
The InChIKey is DSWLNVQQRZPPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2/c1-2-17(9-6-7-9)12(8-16)10-4-3-5-11(14)13(10)15/h3-5,9,12H,2,6-8,16H2,1H3.
What are the key properties of N-cyclopropyl-1-(2,3-dichlorophenyl)-N-ethylethane-1,2-diamine?
N-cyclopropyl-1-(2,3-dichlorophenyl)-N-ethylethane-1,2-diamine has a molecular weight of 273.21 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(2,3-dichlorophenyl)-N-ethylethane-1,2-diamine is sourced from PubChem (CID 43264069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).