N'-[2-(4-chlorophenoxy)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine

C14H21ClN2O — CID 113409199

IUPACN'-[2-(4-chlorophenoxy)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
SMILESCN(CCNC1CC1)CCOc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O/c1-17(9-8-16-13-4-5-13)10-11-18-14-6-2-12(15)3-7-14/h2-3,6-7,13,16H,4-5,8-11H2,1H3
InChIKeyHWHSUFUIMHJNFK-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.40
Rot. Bonds8

About N'-[2-(4-chlorophenoxy)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine

N'-[2-(4-chlorophenoxy)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine (PubChem CID 113409199) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N'-[2-(4-chlorophenoxy)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(4-chlorophenoxy)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
PubChem CID113409199
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN'-[2-(4-chlorophenoxy)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
SMILESCN(CCNC1CC1)CCOc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O/c1-17(9-8-16-13-4-5-13)10-11-18-14-6-2-12(15)3-7-14/h2-3,6-7,13,16H,4-5,8-11H2,1H3
InChIKeyHWHSUFUIMHJNFK-UHFFFAOYSA-N
XLogP2.40
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Chlorophenoxy)-N-(2-(diethylamino)ethyl)acetamide
CID 28554
[2-(4-Chloro-phenoxy)-ethyl]-(3-phenoxy-propyl)-amine
CID 10315310
[2-(4-Chloro-phenoxy)-ethyl]-[3-(4-fluoro-phenoxy)-propyl]-amine
CID 10734727
4-[2-(4-Chlorophenoxy)ethyl]morpholine
CID 868407
2-(4-chlorophenoxy)-N-cyclopropyl-2-methylpropanamide
CID 17476178
1-(2-(4-Chlorophenoxy)ethoxy)-3-(isopropylamino)propan-2-ol hydrochloride
CID 2843901
Cyclopropanamine, N-(2-(2-chlorophenoxy)ethyl)-, hydrochloride (1:1)
CID 21485
Acetamide, 2-(p-chlorophenoxy)-N-(3-(dimethylamino)propyl)-
CID 121036
Acetamide, 2-(4-chlorophenoxy)-N-(2-(diethylamino)ethyl)-, hydrochloride (1:1)
CID 197791
1-(2-(4-Chlorophenoxy)ethyl)piperazine
CID 894310
1-(2-Aminoethoxy)-4-chlorobenzene hydrochloride
CID 16247253
(2-(4-Chlorophenoxy)ethyl)(methyl)amine
CID 295966

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenoxy)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[2-(4-chlorophenoxy)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine (CID 113409199) is N'-[2-(4-chlorophenoxy)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[2-(4-chlorophenoxy)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[2-(4-chlorophenoxy)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine is CN(CCNC1CC1)CCOc1ccc(Cl)cc1.
What is the InChIKey of N'-[2-(4-chlorophenoxy)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine?
The InChIKey is HWHSUFUIMHJNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-17(9-8-16-13-4-5-13)10-11-18-14-6-2-12(15)3-7-14/h2-3,6-7,13,16H,4-5,8-11H2,1H3.
What are the key properties of N'-[2-(4-chlorophenoxy)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine?
N'-[2-(4-chlorophenoxy)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine has a molecular weight of 268.79 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenoxy)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 113409199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).