[2-[2-(3-bromophenoxy)ethoxy]-3,5-dichlorophenyl]methanamine

C15H14BrCl2NO2 — CID 63499735

IUPAC[2-[2-(3-bromophenoxy)ethoxy]-3,5-dichlorophenyl]methanamine
SMILESNCc1cc(Cl)cc(Cl)c1OCCOc1cccc(Br)c1
InChIInChI=1S/C15H14BrCl2NO2/c16-11-2-1-3-13(7-11)20-4-5-21-15-10(9-19)6-12(17)8-14(15)18/h1-3,6-8H,4-5,9,19H2
InChIKeyXFXRDOOEYISXLI-UHFFFAOYSA-N
MW391.09 g/mol
LogP4.67
Rot. Bonds6

About [2-[2-(3-bromophenoxy)ethoxy]-3,5-dichlorophenyl]methanamine

[2-[2-(3-bromophenoxy)ethoxy]-3,5-dichlorophenyl]methanamine (PubChem CID 63499735) has the molecular formula C15H14BrCl2NO2 and a molecular weight of 391.09 g/mol. Its IUPAC name is [2-[2-(3-bromophenoxy)ethoxy]-3,5-dichlorophenyl]methanamine.

Molecular Properties

Compound Name[2-[2-(3-bromophenoxy)ethoxy]-3,5-dichlorophenyl]methanamine
PubChem CID63499735
Molecular FormulaC15H14BrCl2NO2
Molecular Weight391.09 g/mol
Exact Mass388.96
IUPAC Name[2-[2-(3-bromophenoxy)ethoxy]-3,5-dichlorophenyl]methanamine
SMILESNCc1cc(Cl)cc(Cl)c1OCCOc1cccc(Br)c1
InChIInChI=1S/C15H14BrCl2NO2/c16-11-2-1-3-13(7-11)20-4-5-21-15-10(9-19)6-12(17)8-14(15)18/h1-3,6-8H,4-5,9,19H2
InChIKeyXFXRDOOEYISXLI-UHFFFAOYSA-N
XLogP4.67
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.09
LogP ≤ 54.67
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-[2-(3-bromophenoxy)ethoxy]-1,2-dichlorobenzene
CID 60626996
[4-[2-(3-bromophenoxy)ethoxy]phenyl]methanamine
CID 43531130
[3,5-dichloro-2-[(2,3-dichlorophenyl)methoxy]phenyl]methanamine
CID 107305827
2-[2-(3-bromophenoxy)ethoxy]-4,5-dichloroaniline
CID 107498125
N-[2-(3-bromophenoxy)ethyl]-3,5-dichloroaniline
CID 55196746
[3,5-dichloro-2-(2-pyridin-3-ylethoxy)phenyl]methanamine
CID 63264977
[5-chloro-2-[2-(2,4,6-trichlorophenoxy)ethoxy]phenyl]methanamine
CID 22684932
(3,5-dichloro-2-octoxyphenyl)methanamine
CID 43515616
[2-[2-(2,4,6-trichlorophenoxy)ethoxy]phenyl]methanamine
CID 22683172
4-[2-(aminomethyl)-4,6-dichlorophenoxy]butanenitrile
CID 60888481
1-[2-[(3-bromophenyl)methoxy]-3,5-dichlorophenyl]-N-methylmethanamine
CID 63501527
1-bromo-3-[2-[3-(chloromethyl)phenoxy]ethoxy]benzene
CID 55224568

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3-bromophenoxy)ethoxy]-3,5-dichlorophenyl]methanamine?
The IUPAC name of [2-[2-(3-bromophenoxy)ethoxy]-3,5-dichlorophenyl]methanamine (CID 63499735) is [2-[2-(3-bromophenoxy)ethoxy]-3,5-dichlorophenyl]methanamine.
What is the SMILES notation for [2-[2-(3-bromophenoxy)ethoxy]-3,5-dichlorophenyl]methanamine?
The canonical SMILES for [2-[2-(3-bromophenoxy)ethoxy]-3,5-dichlorophenyl]methanamine is NCc1cc(Cl)cc(Cl)c1OCCOc1cccc(Br)c1.
What is the InChIKey of [2-[2-(3-bromophenoxy)ethoxy]-3,5-dichlorophenyl]methanamine?
The InChIKey is XFXRDOOEYISXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrCl2NO2/c16-11-2-1-3-13(7-11)20-4-5-21-15-10(9-19)6-12(17)8-14(15)18/h1-3,6-8H,4-5,9,19H2.
What are the key properties of [2-[2-(3-bromophenoxy)ethoxy]-3,5-dichlorophenyl]methanamine?
[2-[2-(3-bromophenoxy)ethoxy]-3,5-dichlorophenyl]methanamine has a molecular weight of 391.09 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3-bromophenoxy)ethoxy]-3,5-dichlorophenyl]methanamine is sourced from PubChem (CID 63499735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).