(1R)-1-(4-chloro-3-fluorophenyl)-2-methoxyethanamine

C9H11ClFNO — CID 69451482

IUPAC(1R)-1-(4-chloro-3-fluorophenyl)-2-methoxyethanamine
SMILESCOC[C@H](N)c1ccc(Cl)c(F)c1
InChIInChI=1S/C9H11ClFNO/c1-13-5-9(12)6-2-3-7(10)8(11)4-6/h2-4,9H,5,12H2,1H3/t9-/m0/s1
InChIKeyDSMMLIWKSJQDAG-VIFPVBQESA-N
MW203.64 g/mol
LogP2.13
Rot. Bonds3

About (1R)-1-(4-chloro-3-fluorophenyl)-2-methoxyethanamine

(1R)-1-(4-chloro-3-fluorophenyl)-2-methoxyethanamine (PubChem CID 69451482) has the molecular formula C9H11ClFNO and a molecular weight of 203.64 g/mol. Its IUPAC name is (1R)-1-(4-chloro-3-fluorophenyl)-2-methoxyethanamine.

Molecular Properties

Compound Name(1R)-1-(4-chloro-3-fluorophenyl)-2-methoxyethanamine
PubChem CID69451482
Molecular FormulaC9H11ClFNO
Molecular Weight203.64 g/mol
Exact Mass203.05
IUPAC Name(1R)-1-(4-chloro-3-fluorophenyl)-2-methoxyethanamine
SMILESCOC[C@H](N)c1ccc(Cl)c(F)c1
InChIInChI=1S/C9H11ClFNO/c1-13-5-9(12)6-2-3-7(10)8(11)4-6/h2-4,9H,5,12H2,1H3/t9-/m0/s1
InChIKeyDSMMLIWKSJQDAG-VIFPVBQESA-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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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chloro-3-fluorophenyl)-2-methoxyethanamine?
The IUPAC name of (1R)-1-(4-chloro-3-fluorophenyl)-2-methoxyethanamine (CID 69451482) is (1R)-1-(4-chloro-3-fluorophenyl)-2-methoxyethanamine.
What is the SMILES notation for (1R)-1-(4-chloro-3-fluorophenyl)-2-methoxyethanamine?
The canonical SMILES for (1R)-1-(4-chloro-3-fluorophenyl)-2-methoxyethanamine is COC[C@H](N)c1ccc(Cl)c(F)c1.
What is the InChIKey of (1R)-1-(4-chloro-3-fluorophenyl)-2-methoxyethanamine?
The InChIKey is DSMMLIWKSJQDAG-VIFPVBQESA-N. The full InChI is InChI=1S/C9H11ClFNO/c1-13-5-9(12)6-2-3-7(10)8(11)4-6/h2-4,9H,5,12H2,1H3/t9-/m0/s1.
What are the key properties of (1R)-1-(4-chloro-3-fluorophenyl)-2-methoxyethanamine?
(1R)-1-(4-chloro-3-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 (1R)-1-(4-chloro-3-fluorophenyl)-2-methoxyethanamine is sourced from PubChem (CID 69451482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).