cyclohexyl-(2-fluoro-4-methylphenyl)methanamine

C14H20FN — CID 114981199

IUPACcyclohexyl-(2-fluoro-4-methylphenyl)methanamine
SMILESCc1ccc(C(N)C2CCCCC2)c(F)c1
InChIInChI=1S/C14H20FN/c1-10-7-8-12(13(15)9-10)14(16)11-5-3-2-4-6-11/h7-9,11,14H,2-6,16H2,1H3
InChIKeyLIHLALPIDPFOAE-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.71
Rot. Bonds2

About cyclohexyl-(2-fluoro-4-methylphenyl)methanamine

cyclohexyl-(2-fluoro-4-methylphenyl)methanamine (PubChem CID 114981199) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is cyclohexyl-(2-fluoro-4-methylphenyl)methanamine.

Molecular Properties

Compound Namecyclohexyl-(2-fluoro-4-methylphenyl)methanamine
PubChem CID114981199
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Namecyclohexyl-(2-fluoro-4-methylphenyl)methanamine
SMILESCc1ccc(C(N)C2CCCCC2)c(F)c1
InChIInChI=1S/C14H20FN/c1-10-7-8-12(13(15)9-10)14(16)11-5-3-2-4-6-11/h7-9,11,14H,2-6,16H2,1H3
InChIKeyLIHLALPIDPFOAE-UHFFFAOYSA-N
XLogP3.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-cyclopentyl-(2-fluoro-4-methylphenyl)methanamine
CID 131545963
(S)-cyclopentyl-(2-fluoro-4-methylphenyl)methanamine;hydrochloride
CID 171221506
cyclobutyl-(2-fluoro-5-methylphenyl)methanamine
CID 64986676
cyclohexyl-(2-fluoro-4-methylphenyl)methanol
CID 115802084
(2-chloro-4-methylphenyl)-cycloheptylmethanamine
CID 106858433
(2-bromo-4-methylphenyl)-cyclohexylmethanamine
CID 114981605
(S)-(2-bromo-4-methylphenyl)-cyclopentylmethanamine
CID 171221683
cyclohexyl-(2,4-difluoro-5-methylphenyl)methanamine
CID 79724300
(R)-cyclobutyl-(2,4-dimethylphenyl)methanamine;hydrochloride
CID 171213154
cyclobutyl-(2-fluoro-4-methylphenyl)methanol
CID 115837888
(S)-(2-chloro-4-methylphenyl)-cyclobutylmethanamine
CID 99737681
2-[(R)-amino(cyclobutyl)methyl]-5-methylphenol
CID 130606689

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(2-fluoro-4-methylphenyl)methanamine?
The IUPAC name of cyclohexyl-(2-fluoro-4-methylphenyl)methanamine (CID 114981199) is cyclohexyl-(2-fluoro-4-methylphenyl)methanamine.
What is the SMILES notation for cyclohexyl-(2-fluoro-4-methylphenyl)methanamine?
The canonical SMILES for cyclohexyl-(2-fluoro-4-methylphenyl)methanamine is Cc1ccc(C(N)C2CCCCC2)c(F)c1.
What is the InChIKey of cyclohexyl-(2-fluoro-4-methylphenyl)methanamine?
The InChIKey is LIHLALPIDPFOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-10-7-8-12(13(15)9-10)14(16)11-5-3-2-4-6-11/h7-9,11,14H,2-6,16H2,1H3.
What are the key properties of cyclohexyl-(2-fluoro-4-methylphenyl)methanamine?
cyclohexyl-(2-fluoro-4-methylphenyl)methanamine has a molecular weight of 221.32 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(2-fluoro-4-methylphenyl)methanamine is sourced from PubChem (CID 114981199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).