cyclohexen-1-yl-(2-fluoro-6-methoxyphenyl)methanamine

C14H18FNO — CID 65433627

IUPACcyclohexen-1-yl-(2-fluoro-6-methoxyphenyl)methanamine
SMILESCOc1cccc(F)c1C(N)C1=CCCCC1
InChIInChI=1S/C14H18FNO/c1-17-12-9-5-8-11(15)13(12)14(16)10-6-3-2-4-7-10/h5-6,8-9,14H,2-4,7,16H2,1H3
InChIKeyZXZORXQENPGGTN-UHFFFAOYSA-N
MW235.30 g/mol
LogP3.33
Rot. Bonds3

About cyclohexen-1-yl-(2-fluoro-6-methoxyphenyl)methanamine

cyclohexen-1-yl-(2-fluoro-6-methoxyphenyl)methanamine (PubChem CID 65433627) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is cyclohexen-1-yl-(2-fluoro-6-methoxyphenyl)methanamine.

Molecular Properties

Compound Namecyclohexen-1-yl-(2-fluoro-6-methoxyphenyl)methanamine
PubChem CID65433627
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Namecyclohexen-1-yl-(2-fluoro-6-methoxyphenyl)methanamine
SMILESCOc1cccc(F)c1C(N)C1=CCCCC1
InChIInChI=1S/C14H18FNO/c1-17-12-9-5-8-11(15)13(12)14(16)10-6-3-2-4-7-10/h5-6,8-9,14H,2-4,7,16H2,1H3
InChIKeyZXZORXQENPGGTN-UHFFFAOYSA-N
XLogP3.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[cyclohexen-1-yl-(2-fluoro-6-methoxyphenyl)methyl]propan-1-amine
CID 65433819
(2-chloro-6-methoxyphenyl)-(cyclohexen-1-yl)methanol
CID 106651584
(2-fluoro-6-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 65434780
(5-chloro-2-methoxyphenyl)-[(1E)-cycloocten-1-yl]methanamine
CID 106656196
cyclopenten-1-yl-(2,3-difluorophenyl)methanamine
CID 62650882
1-(cyclohepten-1-yl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 55034371
cyclopropyl-(2-fluoro-6-methoxyphenyl)methanamine
CID 55269614
(1S)-1-(2-fluoro-6-methoxyphenyl)propane-1,3-diamine
CID 171230221
(1S)-2-fluoro-1-(2-fluoro-6-methoxyphenyl)ethanamine;hydrochloride
CID 171210621
2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-6-methoxyphenyl)methanamine
CID 114745887
1-(2-fluoro-6-methoxyphenyl)-2-phenylethanamine
CID 65434992
cyclopenten-1-yl-(3,4-dimethoxyphenyl)methanamine
CID 55034080

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl-(2-fluoro-6-methoxyphenyl)methanamine?
The IUPAC name of cyclohexen-1-yl-(2-fluoro-6-methoxyphenyl)methanamine (CID 65433627) is cyclohexen-1-yl-(2-fluoro-6-methoxyphenyl)methanamine.
What is the SMILES notation for cyclohexen-1-yl-(2-fluoro-6-methoxyphenyl)methanamine?
The canonical SMILES for cyclohexen-1-yl-(2-fluoro-6-methoxyphenyl)methanamine is COc1cccc(F)c1C(N)C1=CCCCC1.
What is the InChIKey of cyclohexen-1-yl-(2-fluoro-6-methoxyphenyl)methanamine?
The InChIKey is ZXZORXQENPGGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-17-12-9-5-8-11(15)13(12)14(16)10-6-3-2-4-7-10/h5-6,8-9,14H,2-4,7,16H2,1H3.
What are the key properties of cyclohexen-1-yl-(2-fluoro-6-methoxyphenyl)methanamine?
cyclohexen-1-yl-(2-fluoro-6-methoxyphenyl)methanamine has a molecular weight of 235.30 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl-(2-fluoro-6-methoxyphenyl)methanamine is sourced from PubChem (CID 65433627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).