[4-[2-(3,4-dichlorophenoxy)ethoxy]phenyl]methanamine

C15H15Cl2NO2 — CID 60999813

IUPAC[4-[2-(3,4-dichlorophenoxy)ethoxy]phenyl]methanamine
SMILESNCc1ccc(OCCOc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H15Cl2NO2/c16-14-6-5-13(9-15(14)17)20-8-7-19-12-3-1-11(10-18)2-4-12/h1-6,9H,7-8,10,18H2
InChIKeyYPVBPYLQPGIXTB-UHFFFAOYSA-N
MW312.20 g/mol
LogP3.91
Rot. Bonds6

About [4-[2-(3,4-dichlorophenoxy)ethoxy]phenyl]methanamine

[4-[2-(3,4-dichlorophenoxy)ethoxy]phenyl]methanamine (PubChem CID 60999813) has the molecular formula C15H15Cl2NO2 and a molecular weight of 312.20 g/mol. Its IUPAC name is [4-[2-(3,4-dichlorophenoxy)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-[2-(3,4-dichlorophenoxy)ethoxy]phenyl]methanamine
PubChem CID60999813
Molecular FormulaC15H15Cl2NO2
Molecular Weight312.20 g/mol
Exact Mass311.05
IUPAC Name[4-[2-(3,4-dichlorophenoxy)ethoxy]phenyl]methanamine
SMILESNCc1ccc(OCCOc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H15Cl2NO2/c16-14-6-5-13(9-15(14)17)20-8-7-19-12-3-1-11(10-18)2-4-12/h1-6,9H,7-8,10,18H2
InChIKeyYPVBPYLQPGIXTB-UHFFFAOYSA-N
XLogP3.91
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 53.91
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

[4-[(3,4-dichlorophenyl)methoxy]phenyl]methanamine
CID 22687493
[4-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]methanamine
CID 20992565
[4-[2-[2-[2-[4-(aminomethyl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanamine
CID 46222769
[4-(2-naphthalen-2-yloxyethoxy)phenyl]methanamine
CID 20990903
[4-[2-(3-fluorophenoxy)ethoxy]phenyl]methanamine
CID 43254110
[4-[2-(3-bromophenoxy)ethoxy]phenyl]methanamine
CID 43531130
4-[2-(3-bromophenoxy)ethoxy]-1,2-dichlorobenzene
CID 60626996
[4-[2-(3-ethylphenoxy)ethoxy]phenyl]methanamine
CID 43254277
3-(3,4-dichlorophenoxy)propane-1-thiol
CID 79019672
4-[2-(3,4-dichlorophenoxy)ethoxy]benzenecarboximidamide
CID 61301174
[4-[(3-chloro-4-fluorophenoxy)methyl]phenyl]methanamine
CID 63880371
[4-(3,4-dichlorophenyl)phenyl]methanamine
CID 3610827

Frequently Asked Questions

What is the IUPAC name of [4-[2-(3,4-dichlorophenoxy)ethoxy]phenyl]methanamine?
The IUPAC name of [4-[2-(3,4-dichlorophenoxy)ethoxy]phenyl]methanamine (CID 60999813) is [4-[2-(3,4-dichlorophenoxy)ethoxy]phenyl]methanamine.
What is the SMILES notation for [4-[2-(3,4-dichlorophenoxy)ethoxy]phenyl]methanamine?
The canonical SMILES for [4-[2-(3,4-dichlorophenoxy)ethoxy]phenyl]methanamine is NCc1ccc(OCCOc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of [4-[2-(3,4-dichlorophenoxy)ethoxy]phenyl]methanamine?
The InChIKey is YPVBPYLQPGIXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2/c16-14-6-5-13(9-15(14)17)20-8-7-19-12-3-1-11(10-18)2-4-12/h1-6,9H,7-8,10,18H2.
What are the key properties of [4-[2-(3,4-dichlorophenoxy)ethoxy]phenyl]methanamine?
[4-[2-(3,4-dichlorophenoxy)ethoxy]phenyl]methanamine has a molecular weight of 312.20 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3,4-dichlorophenoxy)ethoxy]phenyl]methanamine is sourced from PubChem (CID 60999813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).