N'-[2-(3-chlorophenoxy)ethyl]-N'-ethylethane-1,2-diamine

C12H19ClN2O — CID 103102306

IUPACN'-[2-(3-chlorophenoxy)ethyl]-N'-ethylethane-1,2-diamine
SMILESCCN(CCN)CCOc1cccc(Cl)c1
InChIInChI=1S/C12H19ClN2O/c1-2-15(7-6-14)8-9-16-12-5-3-4-11(13)10-12/h3-5,10H,2,6-9,14H2,1H3
InChIKeyJAKMMEVQRJDZOI-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.00
Rot. Bonds7

About N'-[2-(3-chlorophenoxy)ethyl]-N'-ethylethane-1,2-diamine

N'-[2-(3-chlorophenoxy)ethyl]-N'-ethylethane-1,2-diamine (PubChem CID 103102306) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is N'-[2-(3-chlorophenoxy)ethyl]-N'-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(3-chlorophenoxy)ethyl]-N'-ethylethane-1,2-diamine
PubChem CID103102306
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC NameN'-[2-(3-chlorophenoxy)ethyl]-N'-ethylethane-1,2-diamine
SMILESCCN(CCN)CCOc1cccc(Cl)c1
InChIInChI=1S/C12H19ClN2O/c1-2-15(7-6-14)8-9-16-12-5-3-4-11(13)10-12/h3-5,10H,2,6-9,14H2,1H3
InChIKeyJAKMMEVQRJDZOI-UHFFFAOYSA-N
XLogP2.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-benzyl-N'-[2-(3-chlorophenoxy)ethyl]ethane-1,2-diamine
CID 104859131
3-(3-chlorophenoxy)propan-1-amine;ethane
CID 156874591
1-[2-(3-chlorophenoxy)ethyl-ethylamino]-2-methylpropan-2-ol
CID 79389653
2-(3-chlorophenoxy)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106614950
methyl 2-[2-(3-chlorophenoxy)ethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62954669
5-(3-chlorophenoxy)pentan-1-amine;hydrochloride
CID 86262412
2-(3-tert-butylphenoxy)-N,N-diethylethanamine
CID 20619676
3-[2-(diethylamino)ethoxy]-N,N-dimethylaniline
CID 58006190
3-amino-N-[3-(3-chlorophenoxy)propyl]-N-methylpropanamide;hydrochloride
CID 119298305
2-[4-(4-chlorophenoxy)phenoxy]-N,N-diethylethanamine
CID 21318117
N-[2-(3-chlorophenoxy)ethyl]-N-methylpropane-1-sulfonamide
CID 61383903
2-[2-(3-chlorophenoxy)ethyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107485888

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-chlorophenoxy)ethyl]-N'-ethylethane-1,2-diamine?
The IUPAC name of N'-[2-(3-chlorophenoxy)ethyl]-N'-ethylethane-1,2-diamine (CID 103102306) is N'-[2-(3-chlorophenoxy)ethyl]-N'-ethylethane-1,2-diamine.
What is the SMILES notation for N'-[2-(3-chlorophenoxy)ethyl]-N'-ethylethane-1,2-diamine?
The canonical SMILES for N'-[2-(3-chlorophenoxy)ethyl]-N'-ethylethane-1,2-diamine is CCN(CCN)CCOc1cccc(Cl)c1.
What is the InChIKey of N'-[2-(3-chlorophenoxy)ethyl]-N'-ethylethane-1,2-diamine?
The InChIKey is JAKMMEVQRJDZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-2-15(7-6-14)8-9-16-12-5-3-4-11(13)10-12/h3-5,10H,2,6-9,14H2,1H3.
What are the key properties of N'-[2-(3-chlorophenoxy)ethyl]-N'-ethylethane-1,2-diamine?
N'-[2-(3-chlorophenoxy)ethyl]-N'-ethylethane-1,2-diamine has a molecular weight of 242.75 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-chlorophenoxy)ethyl]-N'-ethylethane-1,2-diamine is sourced from PubChem (CID 103102306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).