N-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]methanamine

C10H13Cl2NO2 — CID 170043449

IUPACN-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]methanamine
SMILESCNOCCOCc1c(Cl)cccc1Cl
InChIInChI=1S/C10H13Cl2NO2/c1-13-15-6-5-14-7-8-9(11)3-2-4-10(8)12/h2-4,13H,5-7H2,1H3
InChIKeyWNSNRPOECGXUJV-UHFFFAOYSA-N
MW250.12 g/mol
LogP2.66
Rot. Bonds6

About N-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]methanamine

N-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]methanamine (PubChem CID 170043449) has the molecular formula C10H13Cl2NO2 and a molecular weight of 250.12 g/mol. Its IUPAC name is N-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]methanamine.

Molecular Properties

Compound NameN-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]methanamine
PubChem CID170043449
Molecular FormulaC10H13Cl2NO2
Molecular Weight250.12 g/mol
Exact Mass249.03
IUPAC NameN-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]methanamine
SMILESCNOCCOCc1c(Cl)cccc1Cl
InChIInChI=1S/C10H13Cl2NO2/c1-13-15-6-5-14-7-8-9(11)3-2-4-10(8)12/h2-4,13H,5-7H2,1H3
InChIKeyWNSNRPOECGXUJV-UHFFFAOYSA-N
XLogP2.66
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]ethanamine
CID 82352768
1,3-dichloro-2-(2-heptoxyethoxymethyl)benzene
CID 118329197
3-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]aniline
CID 104560092
1,3-dichloro-2-[2-(3,3,4-trimethylpentoxy)ethoxymethyl]benzene
CID 90905849
(2R)-1-[(2,6-dichlorophenyl)methoxy]propan-2-amine
CID 97057932
6-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]-2-methylhexanal
CID 141399860
1-(2,6-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839804
2-[(4-bromophenoxy)methyl]-1,3-dichlorobenzene
CID 925892
1,3-dichloro-2-(prop-1-en-2-yloxymethyl)benzene
CID 142086955
1,3-dichloro-2-[dideuterio(methoxy)methyl]benzene
CID 176829062
1-chloro-2-(chloromethyl)-3-[2-(2-methoxyethoxy)ethoxy]benzene
CID 114320831
3-chloro-2-(2-thiophen-2-ylethoxymethyl)aniline
CID 63745442

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]methanamine?
The IUPAC name of N-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]methanamine (CID 170043449) is N-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]methanamine.
What is the SMILES notation for N-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]methanamine?
The canonical SMILES for N-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]methanamine is CNOCCOCc1c(Cl)cccc1Cl.
What is the InChIKey of N-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]methanamine?
The InChIKey is WNSNRPOECGXUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO2/c1-13-15-6-5-14-7-8-9(11)3-2-4-10(8)12/h2-4,13H,5-7H2,1H3.
What are the key properties of N-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]methanamine?
N-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]methanamine has a molecular weight of 250.12 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]methanamine is sourced from PubChem (CID 170043449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).