1-(3,5-dichlorophenyl)-2-methoxyethanamine

C9H11Cl2NO — CID 112693325

IUPAC1-(3,5-dichlorophenyl)-2-methoxyethanamine
SMILESCOCC(N)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H11Cl2NO/c1-13-5-9(12)6-2-7(10)4-8(11)3-6/h2-4,9H,5,12H2,1H3
InChIKeyBVJGWJUETMDMCT-UHFFFAOYSA-N
MW220.10 g/mol
LogP2.64
Rot. Bonds3

About 1-(3,5-dichlorophenyl)-2-methoxyethanamine

1-(3,5-dichlorophenyl)-2-methoxyethanamine (PubChem CID 112693325) has the molecular formula C9H11Cl2NO and a molecular weight of 220.10 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-2-methoxyethanamine.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-2-methoxyethanamine
PubChem CID112693325
Molecular FormulaC9H11Cl2NO
Molecular Weight220.10 g/mol
Exact Mass219.02
IUPAC Name1-(3,5-dichlorophenyl)-2-methoxyethanamine
SMILESCOCC(N)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H11Cl2NO/c1-13-5-9(12)6-2-7(10)4-8(11)3-6/h2-4,9H,5,12H2,1H3
InChIKeyBVJGWJUETMDMCT-UHFFFAOYSA-N
XLogP2.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.10
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1S)-1-amino-2-methoxyethyl]-5-chlorobenzonitrile
CID 131150462
(1S)-1-(3,5-dibromophenyl)-2-methoxyethanamine
CID 131077040
(1R)-1-(3,5-difluorophenyl)-2-methoxyethanamine
CID 55272435
1-(2,6-dimethyl-4-pyridinyl)-2-methoxyethanamine
CID 107503103
1-(3,5-dichlorophenyl)ethane-1,2-diamine
CID 60788932
(1S)-1-(3,5-dichlorophenyl)-2-fluoroethanamine
CID 124707721
(1R)-1-(3,5-dichlorophenyl)ethane-1,2-diamine
CID 66517114
(1R)-1-(3,5-dichlorophenyl)-3-methylbutan-1-amine
CID 130902077
4-[(1S)-1-amino-2-methoxyethyl]-2,6-difluoroaniline
CID 131118509
(1R)-1-(3-bromo-4-chlorophenyl)-2-methoxyethanamine
CID 131168794
(1R)-2-methoxy-1-phenylethanamine
CID 11019045
1-(6-chloro-3-pyridinyl)-2-methoxyethanamine
CID 55272792

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-2-methoxyethanamine?
The IUPAC name of 1-(3,5-dichlorophenyl)-2-methoxyethanamine (CID 112693325) is 1-(3,5-dichlorophenyl)-2-methoxyethanamine.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-2-methoxyethanamine?
The canonical SMILES for 1-(3,5-dichlorophenyl)-2-methoxyethanamine is COCC(N)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-2-methoxyethanamine?
The InChIKey is BVJGWJUETMDMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NO/c1-13-5-9(12)6-2-7(10)4-8(11)3-6/h2-4,9H,5,12H2,1H3.
What are the key properties of 1-(3,5-dichlorophenyl)-2-methoxyethanamine?
1-(3,5-dichlorophenyl)-2-methoxyethanamine has a molecular weight of 220.10 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-2-methoxyethanamine is sourced from PubChem (CID 112693325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).