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

C10H15ClN2O — CID 69274969

IUPACN'-[2-(2-chlorophenoxy)ethyl]ethane-1,2-diamine
SMILESNCCNCCOc1ccccc1Cl
InChIInChI=1S/C10H15ClN2O/c11-9-3-1-2-4-10(9)14-8-7-13-6-5-12/h1-4,13H,5-8,12H2
InChIKeyUGUKPLCQGMQYGP-UHFFFAOYSA-N
MW214.70 g/mol
LogP1.27
Rot. Bonds6

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

N'-[2-(2-chlorophenoxy)ethyl]ethane-1,2-diamine (PubChem CID 69274969) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is N'-[2-(2-chlorophenoxy)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(2-chlorophenoxy)ethyl]ethane-1,2-diamine
PubChem CID69274969
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC NameN'-[2-(2-chlorophenoxy)ethyl]ethane-1,2-diamine
SMILESNCCNCCOc1ccccc1Cl
InChIInChI=1S/C10H15ClN2O/c11-9-3-1-2-4-10(9)14-8-7-13-6-5-12/h1-4,13H,5-8,12H2
InChIKeyUGUKPLCQGMQYGP-UHFFFAOYSA-N
XLogP1.27
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 51.27
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

3-(2-chlorophenoxy)-N-propylpropan-1-amine
CID 29015603
N'-[2-(2-bromophenoxy)ethyl]ethane-1,2-diamine;dihydrochloride
CID 69275255
3-[3-(2-chlorophenoxy)propoxy]propan-1-amine
CID 82353356
N-butyl-5-(2-chlorophenoxy)pentan-1-amine
CID 2247459
N-[2-(2-chlorophenoxy)ethyl]aniline
CID 19079516
N-(2-aminoethyl)-3-(2-chlorophenoxy)propanamide;hydrochloride
CID 119383062
N-(3-aminopropyl)-N-[3-(2-chlorophenoxy)propylcarbamoyl]formamide
CID 108883542
2-butoxy-N-[2-(2-chlorophenoxy)ethyl]aniline
CID 54801671
1-chloro-2-(4-methoxybutoxy)benzene
CID 59339544
N'-[2-[2-(2-chloro-5-methylphenoxy)ethoxy]ethyl]ethane-1,2-diamine
CID 2276700
N'-[4-(2-phenylphenoxy)butyl]ethane-1,2-diamine
CID 2299976
6-[2-(2-chlorophenoxy)ethylamino]-4,4-dimethylhexanoic acid
CID 65287494

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-chlorophenoxy)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(2-chlorophenoxy)ethyl]ethane-1,2-diamine (CID 69274969) is N'-[2-(2-chlorophenoxy)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(2-chlorophenoxy)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(2-chlorophenoxy)ethyl]ethane-1,2-diamine is NCCNCCOc1ccccc1Cl.
What is the InChIKey of N'-[2-(2-chlorophenoxy)ethyl]ethane-1,2-diamine?
The InChIKey is UGUKPLCQGMQYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c11-9-3-1-2-4-10(9)14-8-7-13-6-5-12/h1-4,13H,5-8,12H2.
What are the key properties of N'-[2-(2-chlorophenoxy)ethyl]ethane-1,2-diamine?
N'-[2-(2-chlorophenoxy)ethyl]ethane-1,2-diamine has a molecular weight of 214.70 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-chlorophenoxy)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 69274969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).