cyclohexyl-(4-fluoro-3-methoxyphenyl)methanamine

C14H20FNO — CID 83824510

IUPACcyclohexyl-(4-fluoro-3-methoxyphenyl)methanamine
SMILESCOc1cc(C(N)C2CCCCC2)ccc1F
InChIInChI=1S/C14H20FNO/c1-17-13-9-11(7-8-12(13)15)14(16)10-5-3-2-4-6-10/h7-10,14H,2-6,16H2,1H3
InChIKeyLCFFBPXHZVQAMB-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.41
Rot. Bonds3

About cyclohexyl-(4-fluoro-3-methoxyphenyl)methanamine

cyclohexyl-(4-fluoro-3-methoxyphenyl)methanamine (PubChem CID 83824510) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is cyclohexyl-(4-fluoro-3-methoxyphenyl)methanamine.

Molecular Properties

Compound Namecyclohexyl-(4-fluoro-3-methoxyphenyl)methanamine
PubChem CID83824510
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Namecyclohexyl-(4-fluoro-3-methoxyphenyl)methanamine
SMILESCOc1cc(C(N)C2CCCCC2)ccc1F
InChIInChI=1S/C14H20FNO/c1-17-13-9-11(7-8-12(13)15)14(16)10-5-3-2-4-6-10/h7-10,14H,2-6,16H2,1H3
InChIKeyLCFFBPXHZVQAMB-UHFFFAOYSA-N
XLogP3.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cycloheptyl-(4-fluoro-3-methoxyphenyl)methanol
CID 115829463
(1S,2R)-2-amino-1-cyclopentyl-2-(4-fluoro-3-methoxyphenyl)ethanol;hydrochloride
CID 171159905
(S)-cyclohexyl-(4-fluoro-3-methylphenyl)methanamine
CID 39244944
(S)-(3-bromo-4-methoxyphenyl)-cyclohexylmethanamine
CID 29010450
5-[(S)-amino(cyclohexyl)methyl]-2-methoxyphenol
CID 171218830
(1S)-1-cycloheptyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]ethanamine
CID 83059190
cyclopentyl-(4-methoxy-3-propan-2-ylphenyl)methanamine
CID 82086619
(3-chloro-4-fluorophenyl)-cyclohexylmethanamine
CID 63093302
N-[cyclohexyl-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 114981149
2-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)ethanamine
CID 112693539
(R)-cyclopentyl-(3,4,5-trimethoxyphenyl)methanamine;hydrochloride
CID 171199622
(S)-cyclopentyl-(3,4,5-trimethoxyphenyl)methanamine;hydrochloride
CID 171219149

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(4-fluoro-3-methoxyphenyl)methanamine?
The IUPAC name of cyclohexyl-(4-fluoro-3-methoxyphenyl)methanamine (CID 83824510) is cyclohexyl-(4-fluoro-3-methoxyphenyl)methanamine.
What is the SMILES notation for cyclohexyl-(4-fluoro-3-methoxyphenyl)methanamine?
The canonical SMILES for cyclohexyl-(4-fluoro-3-methoxyphenyl)methanamine is COc1cc(C(N)C2CCCCC2)ccc1F.
What is the InChIKey of cyclohexyl-(4-fluoro-3-methoxyphenyl)methanamine?
The InChIKey is LCFFBPXHZVQAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-17-13-9-11(7-8-12(13)15)14(16)10-5-3-2-4-6-10/h7-10,14H,2-6,16H2,1H3.
What are the key properties of cyclohexyl-(4-fluoro-3-methoxyphenyl)methanamine?
cyclohexyl-(4-fluoro-3-methoxyphenyl)methanamine has a molecular weight of 237.32 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(4-fluoro-3-methoxyphenyl)methanamine is sourced from PubChem (CID 83824510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).