N'-tert-butyl-N-[2-(4-chlorophenoxy)ethyl]ethane-1,2-diamine

C14H23ClN2O — CID 113405421

IUPACN'-tert-butyl-N-[2-(4-chlorophenoxy)ethyl]ethane-1,2-diamine
SMILESCC(C)(C)NCCNCCOc1ccc(Cl)cc1
InChIInChI=1S/C14H23ClN2O/c1-14(2,3)17-9-8-16-10-11-18-13-6-4-12(15)5-7-13/h4-7,16-17H,8-11H2,1-3H3
InChIKeyIMUBSRNNGFRFMR-UHFFFAOYSA-N
MW270.80 g/mol
LogP2.70
Rot. Bonds7

About N'-tert-butyl-N-[2-(4-chlorophenoxy)ethyl]ethane-1,2-diamine

N'-tert-butyl-N-[2-(4-chlorophenoxy)ethyl]ethane-1,2-diamine (PubChem CID 113405421) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is N'-tert-butyl-N-[2-(4-chlorophenoxy)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-[2-(4-chlorophenoxy)ethyl]ethane-1,2-diamine
PubChem CID113405421
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC NameN'-tert-butyl-N-[2-(4-chlorophenoxy)ethyl]ethane-1,2-diamine
SMILESCC(C)(C)NCCNCCOc1ccc(Cl)cc1
InChIInChI=1S/C14H23ClN2O/c1-14(2,3)17-9-8-16-10-11-18-13-6-4-12(15)5-7-13/h4-7,16-17H,8-11H2,1-3H3
InChIKeyIMUBSRNNGFRFMR-UHFFFAOYSA-N
XLogP2.70
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 52.70
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

2-(4-Chlorophenoxy)-N-(2-(diethylamino)ethyl)acetamide
CID 28554
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[2-(3-Chloro-phenoxy)-ethyl]-(3-phenoxy-propyl)-amine
CID 10733406
[2-(4-Chloro-phenoxy)-ethyl]-[3-(4-fluoro-phenoxy)-propyl]-amine
CID 10734727
4-[2-(4-Chlorophenoxy)ethyl]morpholine
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1-(2-(4-Chlorophenoxy)ethoxy)-3-(isopropylamino)propan-2-ol hydrochloride
CID 2843901
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
N-(2-(2,4,6-Trichlorophenoxy)ethyl)-1-propanamine
CID 3842173
(2-(4-Chlorophenoxy)ethyl)(methyl)amine
CID 295966

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-[2-(4-chlorophenoxy)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-[2-(4-chlorophenoxy)ethyl]ethane-1,2-diamine (CID 113405421) is N'-tert-butyl-N-[2-(4-chlorophenoxy)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-[2-(4-chlorophenoxy)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-[2-(4-chlorophenoxy)ethyl]ethane-1,2-diamine is CC(C)(C)NCCNCCOc1ccc(Cl)cc1.
What is the InChIKey of N'-tert-butyl-N-[2-(4-chlorophenoxy)ethyl]ethane-1,2-diamine?
The InChIKey is IMUBSRNNGFRFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O/c1-14(2,3)17-9-8-16-10-11-18-13-6-4-12(15)5-7-13/h4-7,16-17H,8-11H2,1-3H3.
What are the key properties of N'-tert-butyl-N-[2-(4-chlorophenoxy)ethyl]ethane-1,2-diamine?
N'-tert-butyl-N-[2-(4-chlorophenoxy)ethyl]ethane-1,2-diamine has a molecular weight of 270.80 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-[2-(4-chlorophenoxy)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 113405421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).