3-(3-fluoro-4-methoxyphenyl)-5,5-dimethylcyclohex-2-en-1-amine

C15H20FNO — CID 65177140

IUPAC3-(3-fluoro-4-methoxyphenyl)-5,5-dimethylcyclohex-2-en-1-amine
SMILESCOc1ccc(C2=CC(N)CC(C)(C)C2)cc1F
InChIInChI=1S/C15H20FNO/c1-15(2)8-11(6-12(17)9-15)10-4-5-14(18-3)13(16)7-10/h4-7,12H,8-9,17H2,1-3H3
InChIKeyPMRIPAOAUUSAGU-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.37
Rot. Bonds2

About 3-(3-fluoro-4-methoxyphenyl)-5,5-dimethylcyclohex-2-en-1-amine

3-(3-fluoro-4-methoxyphenyl)-5,5-dimethylcyclohex-2-en-1-amine (PubChem CID 65177140) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-5,5-dimethylcyclohex-2-en-1-amine.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-5,5-dimethylcyclohex-2-en-1-amine
PubChem CID65177140
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-5,5-dimethylcyclohex-2-en-1-amine
SMILESCOc1ccc(C2=CC(N)CC(C)(C)C2)cc1F
InChIInChI=1S/C15H20FNO/c1-15(2)8-11(6-12(17)9-15)10-4-5-14(18-3)13(16)7-10/h4-7,12H,8-9,17H2,1-3H3
InChIKeyPMRIPAOAUUSAGU-UHFFFAOYSA-N
XLogP3.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluoro-4-methoxyphenyl)-2-methylcyclopropan-1-amine
CID 62389721
3-(4-cyclobutylphenyl)-5,5-dimethylcyclohex-2-en-1-amine
CID 116506807
4-(3-chloro-5,5-dimethylcyclohexen-1-yl)-2-fluoro-1-(trifluoromethyl)benzene
CID 107290351
4-(2,2-dimethylcyclopropyl)-2-fluoro-1-methoxybenzene
CID 165178047
1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene
CID 18930756
5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine
CID 57445392
3-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylcyclopentan-1-amine
CID 116538891
1-chloro-4-(3-fluoro-4-methoxyphenyl)-3,6-dihydro-2H-pyridine
CID 118221082
3-(2,5-dimethylphenyl)-5,5-dimethylcyclohex-2-en-1-amine
CID 65177305
3-amino-1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-ol
CID 80561285
3-[[5-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]methoxy]cyclobutan-1-amine
CID 146249155
2-fluoro-1-methoxy-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 144809449

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-5,5-dimethylcyclohex-2-en-1-amine?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-5,5-dimethylcyclohex-2-en-1-amine (CID 65177140) is 3-(3-fluoro-4-methoxyphenyl)-5,5-dimethylcyclohex-2-en-1-amine.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-5,5-dimethylcyclohex-2-en-1-amine?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-5,5-dimethylcyclohex-2-en-1-amine is COc1ccc(C2=CC(N)CC(C)(C)C2)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-5,5-dimethylcyclohex-2-en-1-amine?
The InChIKey is PMRIPAOAUUSAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-15(2)8-11(6-12(17)9-15)10-4-5-14(18-3)13(16)7-10/h4-7,12H,8-9,17H2,1-3H3.
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-5,5-dimethylcyclohex-2-en-1-amine?
3-(3-fluoro-4-methoxyphenyl)-5,5-dimethylcyclohex-2-en-1-amine has a molecular weight of 249.33 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)-5,5-dimethylcyclohex-2-en-1-amine is sourced from PubChem (CID 65177140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).