2-[2-[(3,4-dichlorophenyl)methoxy]ethoxy]ethanamine

C11H15Cl2NO2 — CID 82352780

IUPAC2-[2-[(3,4-dichlorophenyl)methoxy]ethoxy]ethanamine
SMILESNCCOCCOCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H15Cl2NO2/c12-10-2-1-9(7-11(10)13)8-16-6-5-15-4-3-14/h1-2,7H,3-6,8,14H2
InChIKeyNRGPYZCUNDYMFQ-UHFFFAOYSA-N
MW264.15 g/mol
LogP2.49
Rot. Bonds7

About 2-[2-[(3,4-dichlorophenyl)methoxy]ethoxy]ethanamine

2-[2-[(3,4-dichlorophenyl)methoxy]ethoxy]ethanamine (PubChem CID 82352780) has the molecular formula C11H15Cl2NO2 and a molecular weight of 264.15 g/mol. Its IUPAC name is 2-[2-[(3,4-dichlorophenyl)methoxy]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[(3,4-dichlorophenyl)methoxy]ethoxy]ethanamine
PubChem CID82352780
Molecular FormulaC11H15Cl2NO2
Molecular Weight264.15 g/mol
Exact Mass263.05
IUPAC Name2-[2-[(3,4-dichlorophenyl)methoxy]ethoxy]ethanamine
SMILESNCCOCCOCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H15Cl2NO2/c12-10-2-1-9(7-11(10)13)8-16-6-5-15-4-3-14/h1-2,7H,3-6,8,14H2
InChIKeyNRGPYZCUNDYMFQ-UHFFFAOYSA-N
XLogP2.49
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 52.49
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

2-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethoxy]ethanamine
CID 82181088
O-[(3,4-dichlorophenyl)methyl]hydroxylamine
CID 2764016
2-[2-chloro-4-(propoxymethyl)phenoxy]ethanamine
CID 18956682
2-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]ethanamine
CID 82352768
2-[2-[[3-[dichloro(diphenyl)-λ5-phosphanyl]phenyl]methoxy]ethoxy]ethanamine
CID 167111028
1-[(3,4-dichlorophenyl)methoxy]-2-methylpropan-2-amine
CID 64535799
1,2-dichloro-4-(2,2-dimethylpropoxymethyl)benzene
CID 21060134
1,2-dichloro-4-(hydroperoxymethyl)benzene
CID 166873402
2-amino-4-(2-aminoethoxymethyl)phenol
CID 155692143
[4-[(3,4-dichlorophenyl)methoxy]phenyl]methanamine
CID 22687493
2-[(4-methoxy-3-propan-2-ylphenyl)methoxy]ethanamine
CID 94768384
2-[2-[2-(3-phenylmethoxypropoxy)ethoxy]ethoxy]ethanamine
CID 139363224

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,4-dichlorophenyl)methoxy]ethoxy]ethanamine?
The IUPAC name of 2-[2-[(3,4-dichlorophenyl)methoxy]ethoxy]ethanamine (CID 82352780) is 2-[2-[(3,4-dichlorophenyl)methoxy]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[(3,4-dichlorophenyl)methoxy]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[(3,4-dichlorophenyl)methoxy]ethoxy]ethanamine is NCCOCCOCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[2-[(3,4-dichlorophenyl)methoxy]ethoxy]ethanamine?
The InChIKey is NRGPYZCUNDYMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO2/c12-10-2-1-9(7-11(10)13)8-16-6-5-15-4-3-14/h1-2,7H,3-6,8,14H2.
What are the key properties of 2-[2-[(3,4-dichlorophenyl)methoxy]ethoxy]ethanamine?
2-[2-[(3,4-dichlorophenyl)methoxy]ethoxy]ethanamine has a molecular weight of 264.15 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,4-dichlorophenyl)methoxy]ethoxy]ethanamine is sourced from PubChem (CID 82352780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).