N-[2-[2-(3-chlorophenoxy)ethoxy]ethyl]propan-2-amine

C13H20ClNO2 — CID 2280848

IUPACN-[2-[2-(3-chlorophenoxy)ethoxy]ethyl]propan-2-amine
SMILESCC(C)NCCOCCOc1cccc(Cl)c1
InChIInChI=1S/C13H20ClNO2/c1-11(2)15-6-7-16-8-9-17-13-5-3-4-12(14)10-13/h3-5,10-11,15H,6-9H2,1-2H3
InChIKeyPBDJUSDVEROYSR-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.73
Rot. Bonds8

About N-[2-[2-(3-chlorophenoxy)ethoxy]ethyl]propan-2-amine

N-[2-[2-(3-chlorophenoxy)ethoxy]ethyl]propan-2-amine (PubChem CID 2280848) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is N-[2-[2-(3-chlorophenoxy)ethoxy]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[2-(3-chlorophenoxy)ethoxy]ethyl]propan-2-amine
PubChem CID2280848
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC NameN-[2-[2-(3-chlorophenoxy)ethoxy]ethyl]propan-2-amine
SMILESCC(C)NCCOCCOc1cccc(Cl)c1
InChIInChI=1S/C13H20ClNO2/c1-11(2)15-6-7-16-8-9-17-13-5-3-4-12(14)10-13/h3-5,10-11,15H,6-9H2,1-2H3
InChIKeyPBDJUSDVEROYSR-UHFFFAOYSA-N
XLogP2.73
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]propan-2-amine
CID 2276712
1-chloro-3-(2-propan-2-yloxyethoxy)benzene
CID 60643608
2-[2-(3-chlorophenoxy)ethoxy]ethanol
CID 10443322
N-[2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethyl]propan-2-amine
CID 2280812
N-[2-(3-phenoxypropoxy)ethyl]propan-2-amine
CID 62937312
N-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]propan-2-amine
CID 2280828
CID 10952974
CID 10952974
3-(3-ethoxyphenoxy)-N-propan-2-ylpropan-1-amine
CID 2296967
N-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]propan-2-amine
CID 3850725
N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 62455428
1-[2-[2-(3-chlorophenoxy)ethoxy]ethyl]piperidine
CID 2245896
(2S)-2-[2-(3-chlorophenoxy)ethoxy]propanoic acid
CID 104876454

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-chlorophenoxy)ethoxy]ethyl]propan-2-amine?
The IUPAC name of N-[2-[2-(3-chlorophenoxy)ethoxy]ethyl]propan-2-amine (CID 2280848) is N-[2-[2-(3-chlorophenoxy)ethoxy]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[2-(3-chlorophenoxy)ethoxy]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[2-(3-chlorophenoxy)ethoxy]ethyl]propan-2-amine is CC(C)NCCOCCOc1cccc(Cl)c1.
What is the InChIKey of N-[2-[2-(3-chlorophenoxy)ethoxy]ethyl]propan-2-amine?
The InChIKey is PBDJUSDVEROYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-11(2)15-6-7-16-8-9-17-13-5-3-4-12(14)10-13/h3-5,10-11,15H,6-9H2,1-2H3.
What are the key properties of N-[2-[2-(3-chlorophenoxy)ethoxy]ethyl]propan-2-amine?
N-[2-[2-(3-chlorophenoxy)ethoxy]ethyl]propan-2-amine has a molecular weight of 257.76 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-chlorophenoxy)ethoxy]ethyl]propan-2-amine is sourced from PubChem (CID 2280848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).