cis-(1S,2S)-2-(6-chloro-3-ethoxy-2-fluorophenyl)cyclopropan-1-amine

C11H13ClFNO — CID 134861558

IUPACcis-(1S,2S)-2-(6-chloro-3-ethoxy-2-fluorophenyl)cyclopropan-1-amine
SMILESCCOc1ccc(Cl)c([C@@H]2C[C@@H]2N)c1F
InChIInChI=1S/C11H13ClFNO/c1-2-15-9-4-3-7(12)10(11(9)13)6-5-8(6)14/h3-4,6,8H,2,5,14H2,1H3/t6-,8+/m1/s1
InChIKeyMGEFOPWDXRTGSF-SVRRBLITSA-N
MW229.68 g/mol
LogP2.69
Rot. Bonds3

About cis-(1S,2S)-2-(6-chloro-3-ethoxy-2-fluorophenyl)cyclopropan-1-amine

cis-(1S,2S)-2-(6-chloro-3-ethoxy-2-fluorophenyl)cyclopropan-1-amine (PubChem CID 134861558) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is cis-(1S,2S)-2-(6-chloro-3-ethoxy-2-fluorophenyl)cyclopropan-1-amine.

Molecular Properties

Compound Namecis-(1S,2S)-2-(6-chloro-3-ethoxy-2-fluorophenyl)cyclopropan-1-amine
PubChem CID134861558
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Namecis-(1S,2S)-2-(6-chloro-3-ethoxy-2-fluorophenyl)cyclopropan-1-amine
SMILESCCOc1ccc(Cl)c([C@@H]2C[C@@H]2N)c1F
InChIInChI=1S/C11H13ClFNO/c1-2-15-9-4-3-7(12)10(11(9)13)6-5-8(6)14/h3-4,6,8H,2,5,14H2,1H3/t6-,8+/m1/s1
InChIKeyMGEFOPWDXRTGSF-SVRRBLITSA-N
XLogP2.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-(6-chloro-3-ethoxy-2-fluorophenyl)cyclopropan-1-amine?
The IUPAC name of cis-(1S,2S)-2-(6-chloro-3-ethoxy-2-fluorophenyl)cyclopropan-1-amine (CID 134861558) is cis-(1S,2S)-2-(6-chloro-3-ethoxy-2-fluorophenyl)cyclopropan-1-amine.
What is the SMILES notation for cis-(1S,2S)-2-(6-chloro-3-ethoxy-2-fluorophenyl)cyclopropan-1-amine?
The canonical SMILES for cis-(1S,2S)-2-(6-chloro-3-ethoxy-2-fluorophenyl)cyclopropan-1-amine is CCOc1ccc(Cl)c([C@@H]2C[C@@H]2N)c1F.
What is the InChIKey of cis-(1S,2S)-2-(6-chloro-3-ethoxy-2-fluorophenyl)cyclopropan-1-amine?
The InChIKey is MGEFOPWDXRTGSF-SVRRBLITSA-N. The full InChI is InChI=1S/C11H13ClFNO/c1-2-15-9-4-3-7(12)10(11(9)13)6-5-8(6)14/h3-4,6,8H,2,5,14H2,1H3/t6-,8+/m1/s1.
What are the key properties of cis-(1S,2S)-2-(6-chloro-3-ethoxy-2-fluorophenyl)cyclopropan-1-amine?
cis-(1S,2S)-2-(6-chloro-3-ethoxy-2-fluorophenyl)cyclopropan-1-amine has a molecular weight of 229.68 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-(6-chloro-3-ethoxy-2-fluorophenyl)cyclopropan-1-amine is sourced from PubChem (CID 134861558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).