[1-(5-fluoro-2-methoxy-4-methylphenyl)cyclohexyl]methanamine

C15H22FNO — CID 117382102

IUPAC[1-(5-fluoro-2-methoxy-4-methylphenyl)cyclohexyl]methanamine
SMILESCOc1cc(C)c(F)cc1C1(CN)CCCCC1
InChIInChI=1S/C15H22FNO/c1-11-8-14(18-2)12(9-13(11)16)15(10-17)6-4-3-5-7-15/h8-9H,3-7,10,17H2,1-2H3
InChIKeyKEVYULQPJMSIIX-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.30
Rot. Bonds3

About [1-(5-fluoro-2-methoxy-4-methylphenyl)cyclohexyl]methanamine

[1-(5-fluoro-2-methoxy-4-methylphenyl)cyclohexyl]methanamine (PubChem CID 117382102) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is [1-(5-fluoro-2-methoxy-4-methylphenyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(5-fluoro-2-methoxy-4-methylphenyl)cyclohexyl]methanamine
PubChem CID117382102
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name[1-(5-fluoro-2-methoxy-4-methylphenyl)cyclohexyl]methanamine
SMILESCOc1cc(C)c(F)cc1C1(CN)CCCCC1
InChIInChI=1S/C15H22FNO/c1-11-8-14(18-2)12(9-13(11)16)15(10-17)6-4-3-5-7-15/h8-9H,3-7,10,17H2,1-2H3
InChIKeyKEVYULQPJMSIIX-UHFFFAOYSA-N
XLogP3.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(5-fluoro-2-methoxy-4-methylphenyl)cyclopropyl]methanamine
CID 117298887
[1-(4-fluoro-2-methoxy-5-methylphenyl)cyclobutyl]methanamine
CID 117320233
[1-(2,5-dimethoxy-4-methylphenyl)cyclopentyl]methanamine
CID 82499041
[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclohexyl]methanamine
CID 117432368
[1-(2-fluoro-5-methoxy-4-methylphenyl)cyclohexyl]methanamine
CID 117382086
[1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentyl]methanamine
CID 84798723
[1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclopentyl]methanamine
CID 117413430
[1-(2,5-dimethoxy-4-methylsulfanylphenyl)cyclohexyl]methanamine
CID 117476236
[1-(4-chloro-2,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456502
[1-(4,5-difluoro-2,3-dimethoxyphenyl)cyclohexyl]methanamine
CID 117459551
[1-(2-fluoro-3,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117422005
[1-(2,5-difluoro-3-methoxyphenyl)cyclopentyl]methanamine
CID 117355086

Frequently Asked Questions

What is the IUPAC name of [1-(5-fluoro-2-methoxy-4-methylphenyl)cyclohexyl]methanamine?
The IUPAC name of [1-(5-fluoro-2-methoxy-4-methylphenyl)cyclohexyl]methanamine (CID 117382102) is [1-(5-fluoro-2-methoxy-4-methylphenyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(5-fluoro-2-methoxy-4-methylphenyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(5-fluoro-2-methoxy-4-methylphenyl)cyclohexyl]methanamine is COc1cc(C)c(F)cc1C1(CN)CCCCC1.
What is the InChIKey of [1-(5-fluoro-2-methoxy-4-methylphenyl)cyclohexyl]methanamine?
The InChIKey is KEVYULQPJMSIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-11-8-14(18-2)12(9-13(11)16)15(10-17)6-4-3-5-7-15/h8-9H,3-7,10,17H2,1-2H3.
What are the key properties of [1-(5-fluoro-2-methoxy-4-methylphenyl)cyclohexyl]methanamine?
[1-(5-fluoro-2-methoxy-4-methylphenyl)cyclohexyl]methanamine has a molecular weight of 251.34 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-fluoro-2-methoxy-4-methylphenyl)cyclohexyl]methanamine is sourced from PubChem (CID 117382102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).