(1R,2S)-3-fluoro-1-methoxy-1-(4-methylcyclohexa-2,4-dien-1-yl)propan-2-amine

C11H18FNO — CID 143418500

IUPAC(1R,2S)-3-fluoro-1-methoxy-1-(4-methylcyclohexa-2,4-dien-1-yl)propan-2-amine
SMILESCO[C@H](C1C=CC(C)=CC1)[C@H](N)CF
InChIInChI=1S/C11H18FNO/c1-8-3-5-9(6-4-8)11(14-2)10(13)7-12/h3-5,9-11H,6-7,13H2,1-2H3/t9?,10-,11-/m1/s1
InChIKeyYOZPERSKXXDMHK-FHZGLPGMSA-N
MW199.27 g/mol
LogP1.82
Rot. Bonds4

About (1R,2S)-3-fluoro-1-methoxy-1-(4-methylcyclohexa-2,4-dien-1-yl)propan-2-amine

(1R,2S)-3-fluoro-1-methoxy-1-(4-methylcyclohexa-2,4-dien-1-yl)propan-2-amine (PubChem CID 143418500) has the molecular formula C11H18FNO and a molecular weight of 199.27 g/mol. Its IUPAC name is (1R,2S)-3-fluoro-1-methoxy-1-(4-methylcyclohexa-2,4-dien-1-yl)propan-2-amine.

Molecular Properties

Compound Name(1R,2S)-3-fluoro-1-methoxy-1-(4-methylcyclohexa-2,4-dien-1-yl)propan-2-amine
PubChem CID143418500
Molecular FormulaC11H18FNO
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC Name(1R,2S)-3-fluoro-1-methoxy-1-(4-methylcyclohexa-2,4-dien-1-yl)propan-2-amine
SMILESCO[C@H](C1C=CC(C)=CC1)[C@H](N)CF
InChIInChI=1S/C11H18FNO/c1-8-3-5-9(6-4-8)11(14-2)10(13)7-12/h3-5,9-11H,6-7,13H2,1-2H3/t9?,10-,11-/m1/s1
InChIKeyYOZPERSKXXDMHK-FHZGLPGMSA-N
XLogP1.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-3-fluoro-1-methoxy-1-(4-methylcyclohexa-2,4-dien-1-yl)propan-2-amine?
The IUPAC name of (1R,2S)-3-fluoro-1-methoxy-1-(4-methylcyclohexa-2,4-dien-1-yl)propan-2-amine (CID 143418500) is (1R,2S)-3-fluoro-1-methoxy-1-(4-methylcyclohexa-2,4-dien-1-yl)propan-2-amine.
What is the SMILES notation for (1R,2S)-3-fluoro-1-methoxy-1-(4-methylcyclohexa-2,4-dien-1-yl)propan-2-amine?
The canonical SMILES for (1R,2S)-3-fluoro-1-methoxy-1-(4-methylcyclohexa-2,4-dien-1-yl)propan-2-amine is CO[C@H](C1C=CC(C)=CC1)[C@H](N)CF.
What is the InChIKey of (1R,2S)-3-fluoro-1-methoxy-1-(4-methylcyclohexa-2,4-dien-1-yl)propan-2-amine?
The InChIKey is YOZPERSKXXDMHK-FHZGLPGMSA-N. The full InChI is InChI=1S/C11H18FNO/c1-8-3-5-9(6-4-8)11(14-2)10(13)7-12/h3-5,9-11H,6-7,13H2,1-2H3/t9?,10-,11-/m1/s1.
What are the key properties of (1R,2S)-3-fluoro-1-methoxy-1-(4-methylcyclohexa-2,4-dien-1-yl)propan-2-amine?
(1R,2S)-3-fluoro-1-methoxy-1-(4-methylcyclohexa-2,4-dien-1-yl)propan-2-amine has a molecular weight of 199.27 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-3-fluoro-1-methoxy-1-(4-methylcyclohexa-2,4-dien-1-yl)propan-2-amine is sourced from PubChem (CID 143418500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).