4-(2-fluoro-3-methoxyphenyl)cyclohex-3-en-1-amine

C13H16FNO — CID 83262312

IUPAC4-(2-fluoro-3-methoxyphenyl)cyclohex-3-en-1-amine
SMILESCOc1cccc(C2=CCC(N)CC2)c1F
InChIInChI=1S/C13H16FNO/c1-16-12-4-2-3-11(13(12)14)9-5-7-10(15)8-6-9/h2-5,10H,6-8,15H2,1H3
InChIKeyQMOKSSGLMBSFIH-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.73
Rot. Bonds2

About 4-(2-fluoro-3-methoxyphenyl)cyclohex-3-en-1-amine

4-(2-fluoro-3-methoxyphenyl)cyclohex-3-en-1-amine (PubChem CID 83262312) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is 4-(2-fluoro-3-methoxyphenyl)cyclohex-3-en-1-amine.

Molecular Properties

Compound Name4-(2-fluoro-3-methoxyphenyl)cyclohex-3-en-1-amine
PubChem CID83262312
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name4-(2-fluoro-3-methoxyphenyl)cyclohex-3-en-1-amine
SMILESCOc1cccc(C2=CCC(N)CC2)c1F
InChIInChI=1S/C13H16FNO/c1-16-12-4-2-3-11(13(12)14)9-5-7-10(15)8-6-9/h2-5,10H,6-8,15H2,1H3
InChIKeyQMOKSSGLMBSFIH-UHFFFAOYSA-N
XLogP2.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methoxy-5-methylphenyl)cyclohex-3-en-1-amine
CID 83262633
3-(2-fluoro-3-methoxyphenyl)cyclopent-2-en-1-one
CID 82811166
1-[[4-(2,3-difluoro-4-methoxyphenyl)cyclohex-3-en-1-yl]methoxy]-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene
CID 88967649
3-(2-fluoro-3-methoxyphenyl)cyclohept-2-en-1-one
CID 107383000
1-[4-[4-(cyclopentylmethyl)cyclohexyl]cyclohexen-1-yl]-2,3-difluoro-4-methoxybenzene
CID 170390824
2-[4-[4-[4-(2,3-difluoro-4-methoxyphenyl)cyclohex-3-en-1-yl]-2,3-difluorophenyl]-2,3-difluorophenyl]oxirane
CID 88967719
1-(4-but-3-enylcyclohexen-1-yl)-4-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]-2,3-difluorobenzene
CID 67732064
1-[2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohex-3-en-1-yl]ethyl]-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene
CID 88967533
1-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
CID 67739856
1-ethyl-5-(2-fluoro-3-methoxyphenyl)-3,6-dihydro-2H-pyridine
CID 165495433
2-(2-fluoro-3-methoxyphenyl)phenol
CID 53218569
2-chloro-3-fluoro-1-(4-heptylcyclohexen-1-yl)-4-methoxybenzene
CID 59257444

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-3-methoxyphenyl)cyclohex-3-en-1-amine?
The IUPAC name of 4-(2-fluoro-3-methoxyphenyl)cyclohex-3-en-1-amine (CID 83262312) is 4-(2-fluoro-3-methoxyphenyl)cyclohex-3-en-1-amine.
What is the SMILES notation for 4-(2-fluoro-3-methoxyphenyl)cyclohex-3-en-1-amine?
The canonical SMILES for 4-(2-fluoro-3-methoxyphenyl)cyclohex-3-en-1-amine is COc1cccc(C2=CCC(N)CC2)c1F.
What is the InChIKey of 4-(2-fluoro-3-methoxyphenyl)cyclohex-3-en-1-amine?
The InChIKey is QMOKSSGLMBSFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-16-12-4-2-3-11(13(12)14)9-5-7-10(15)8-6-9/h2-5,10H,6-8,15H2,1H3.
What are the key properties of 4-(2-fluoro-3-methoxyphenyl)cyclohex-3-en-1-amine?
4-(2-fluoro-3-methoxyphenyl)cyclohex-3-en-1-amine has a molecular weight of 221.28 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-3-methoxyphenyl)cyclohex-3-en-1-amine is sourced from PubChem (CID 83262312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).