(1R)-1-[4-[(E)-3-chloroprop-2-enoxy]-2-fluorophenyl]ethanamine

C11H13ClFNO — CID 107718193

IUPAC(1R)-1-[4-[(E)-3-chloroprop-2-enoxy]-2-fluorophenyl]ethanamine
SMILESC[C@@H](N)c1ccc(OC/C=C/Cl)cc1F
InChIInChI=1S/C11H13ClFNO/c1-8(14)10-4-3-9(7-11(10)13)15-6-2-5-12/h2-5,7-8H,6,14H2,1H3/b5-2+/t8-/m1/s1
InChIKeyUILCDTPHMVDEKI-IBDUZEINSA-N
MW229.68 g/mol
LogP2.98
Rot. Bonds4

About (1R)-1-[4-[(E)-3-chloroprop-2-enoxy]-2-fluorophenyl]ethanamine

(1R)-1-[4-[(E)-3-chloroprop-2-enoxy]-2-fluorophenyl]ethanamine (PubChem CID 107718193) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is (1R)-1-[4-[(E)-3-chloroprop-2-enoxy]-2-fluorophenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-[(E)-3-chloroprop-2-enoxy]-2-fluorophenyl]ethanamine
PubChem CID107718193
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name(1R)-1-[4-[(E)-3-chloroprop-2-enoxy]-2-fluorophenyl]ethanamine
SMILESC[C@@H](N)c1ccc(OC/C=C/Cl)cc1F
InChIInChI=1S/C11H13ClFNO/c1-8(14)10-4-3-9(7-11(10)13)15-6-2-5-12/h2-5,7-8H,6,14H2,1H3/b5-2+/t8-/m1/s1
InChIKeyUILCDTPHMVDEKI-IBDUZEINSA-N
XLogP2.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[4-[(Z)-2,3-dichloroprop-2-enoxy]-2-fluorophenyl]ethanamine
CID 107718553
2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]ethanol
CID 107718833
1-chloro-4-[(E)-3-chloroprop-2-enoxy]-2-fluorobenzene
CID 82706845
(1S)-1-[2-fluoro-4-(2-methylbutoxy)phenyl]ethanamine
CID 107718803
1-[2-fluoro-4-(2-phenoxyethoxy)phenyl]ethanamine
CID 107716078
1-[3-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine
CID 60880709
1-[4-(cyclopropylmethoxy)-2-fluorophenyl]ethanamine
CID 107715743
(1R)-1-(2-fluoro-4-hexoxyphenyl)ethanamine
CID 107718481
(1S)-1-(2-fluoro-4-phenylmethoxyphenyl)ethanamine
CID 107718661
(1R)-1-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine
CID 107718259
1-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]ethanamine
CID 107716293
1-(2-fluoro-4-heptoxyphenyl)ethanamine
CID 107715824

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[(E)-3-chloroprop-2-enoxy]-2-fluorophenyl]ethanamine?
The IUPAC name of (1R)-1-[4-[(E)-3-chloroprop-2-enoxy]-2-fluorophenyl]ethanamine (CID 107718193) is (1R)-1-[4-[(E)-3-chloroprop-2-enoxy]-2-fluorophenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-[(E)-3-chloroprop-2-enoxy]-2-fluorophenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-[(E)-3-chloroprop-2-enoxy]-2-fluorophenyl]ethanamine is C[C@@H](N)c1ccc(OC/C=C/Cl)cc1F.
What is the InChIKey of (1R)-1-[4-[(E)-3-chloroprop-2-enoxy]-2-fluorophenyl]ethanamine?
The InChIKey is UILCDTPHMVDEKI-IBDUZEINSA-N. The full InChI is InChI=1S/C11H13ClFNO/c1-8(14)10-4-3-9(7-11(10)13)15-6-2-5-12/h2-5,7-8H,6,14H2,1H3/b5-2+/t8-/m1/s1.
What are the key properties of (1R)-1-[4-[(E)-3-chloroprop-2-enoxy]-2-fluorophenyl]ethanamine?
(1R)-1-[4-[(E)-3-chloroprop-2-enoxy]-2-fluorophenyl]ethanamine has a molecular weight of 229.68 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[(E)-3-chloroprop-2-enoxy]-2-fluorophenyl]ethanamine is sourced from PubChem (CID 107718193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).