2-(3-chloro-2-fluorophenyl)-2-methoxyethanamine

C9H11ClFNO — CID 114489137

IUPAC2-(3-chloro-2-fluorophenyl)-2-methoxyethanamine
SMILESCOC(CN)c1cccc(Cl)c1F
InChIInChI=1S/C9H11ClFNO/c1-13-8(5-12)6-3-2-4-7(10)9(6)11/h2-4,8H,5,12H2,1H3
InChIKeySQRYGJGMJATVCM-UHFFFAOYSA-N
MW203.64 g/mol
LogP2.13
Rot. Bonds3

About 2-(3-chloro-2-fluorophenyl)-2-methoxyethanamine

2-(3-chloro-2-fluorophenyl)-2-methoxyethanamine (PubChem CID 114489137) has the molecular formula C9H11ClFNO and a molecular weight of 203.64 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-2-methoxyethanamine.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-2-methoxyethanamine
PubChem CID114489137
Molecular FormulaC9H11ClFNO
Molecular Weight203.64 g/mol
Exact Mass203.05
IUPAC Name2-(3-chloro-2-fluorophenyl)-2-methoxyethanamine
SMILESCOC(CN)c1cccc(Cl)c1F
InChIInChI=1S/C9H11ClFNO/c1-13-8(5-12)6-3-2-4-7(10)9(6)11/h2-4,8H,5,12H2,1H3
InChIKeySQRYGJGMJATVCM-UHFFFAOYSA-N
XLogP2.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.64
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dichlorophenyl)-2-methoxyethanamine
CID 66071961
(1S)-1-(3-chloro-2-fluorophenyl)-3-fluoropropan-1-amine
CID 131258362
2-(3-chloro-2-fluorophenyl)-2-methoxyacetaldehyde
CID 130624407
2-(aminomethyl)-1-(3-chloro-2-fluorophenyl)butan-1-ol
CID 81262394
(1S)-1-(3-chloro-2-fluorophenyl)ethanamine;hydrochloride
CID 71074536
1-(3-chloro-2-fluorophenyl)ethanamine;hydrochloride
CID 53395655
(3-chloro-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 82808026
(3-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 81265393
3-amino-1-(3-chloro-2-fluorophenyl)propan-1-ol
CID 81262700
diethyl 2-(3-chloro-2-fluorophenyl)propanedioate
CID 86045257
3-amino-2-(3-chloro-2-fluorophenyl)-1-(3-methoxyphenyl)propan-1-ol
CID 82792629
(1S)-1-(3-chloro-2-fluorophenyl)ethanol
CID 64712910

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-2-methoxyethanamine?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-2-methoxyethanamine (CID 114489137) is 2-(3-chloro-2-fluorophenyl)-2-methoxyethanamine.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-2-methoxyethanamine?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-2-methoxyethanamine is COC(CN)c1cccc(Cl)c1F.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-2-methoxyethanamine?
The InChIKey is SQRYGJGMJATVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO/c1-13-8(5-12)6-3-2-4-7(10)9(6)11/h2-4,8H,5,12H2,1H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-2-methoxyethanamine?
2-(3-chloro-2-fluorophenyl)-2-methoxyethanamine has a molecular weight of 203.64 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-2-methoxyethanamine is sourced from PubChem (CID 114489137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).