cyclohexen-1-yl-(5-fluoro-2-methylphenyl)methanamine

C14H18FN — CID 63047741

IUPACcyclohexen-1-yl-(5-fluoro-2-methylphenyl)methanamine
SMILESCc1ccc(F)cc1C(N)C1=CCCCC1
InChIInChI=1S/C14H18FN/c1-10-7-8-12(15)9-13(10)14(16)11-5-3-2-4-6-11/h5,7-9,14H,2-4,6,16H2,1H3
InChIKeyYBYQSINDIUHPQJ-UHFFFAOYSA-N
MW219.30 g/mol
LogP3.63
Rot. Bonds2

About cyclohexen-1-yl-(5-fluoro-2-methylphenyl)methanamine

cyclohexen-1-yl-(5-fluoro-2-methylphenyl)methanamine (PubChem CID 63047741) has the molecular formula C14H18FN and a molecular weight of 219.30 g/mol. Its IUPAC name is cyclohexen-1-yl-(5-fluoro-2-methylphenyl)methanamine.

Molecular Properties

Compound Namecyclohexen-1-yl-(5-fluoro-2-methylphenyl)methanamine
PubChem CID63047741
Molecular FormulaC14H18FN
Molecular Weight219.30 g/mol
Exact Mass219.14
IUPAC Namecyclohexen-1-yl-(5-fluoro-2-methylphenyl)methanamine
SMILESCc1ccc(F)cc1C(N)C1=CCCCC1
InChIInChI=1S/C14H18FN/c1-10-7-8-12(15)9-13(10)14(16)11-5-3-2-4-6-11/h5,7-9,14H,2-4,6,16H2,1H3
InChIKeyYBYQSINDIUHPQJ-UHFFFAOYSA-N
XLogP3.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.30
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cyclohepten-1-yl-(2,5-difluorophenyl)methanamine
CID 106652966
(5-bromo-2-methylphenyl)-(cyclopenten-1-yl)methanamine
CID 65307996
cyclohexen-1-yl-(4-methyl-3-pyridinyl)methanamine
CID 106654753
(4-bromo-2-methylphenyl)-[(1E)-cycloocten-1-yl]methanamine
CID 106654796
[(1E)-cycloocten-1-yl]-(4-fluoro-2-methylphenyl)methanol
CID 106651066
[(1E)-cycloocten-1-yl]-(2-fluorophenyl)methanamine
CID 106652892
(4-chloro-2-fluorophenyl)-(cyclohepten-1-yl)methanamine
CID 55034229
(5-fluoro-2-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 63048762
cyclohepten-1-yl-(3,5-difluorophenyl)methanamine
CID 62080192
cyclohexen-1-yl-(2,5-dimethylfuran-3-yl)methanamine
CID 62078656
(2-bromo-3-methylphenyl)-(cyclohepten-1-yl)methanamine
CID 107982012
(5-bromo-2-fluorophenyl)-[(1E)-cycloocten-1-yl]methanamine
CID 106654768

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl-(5-fluoro-2-methylphenyl)methanamine?
The IUPAC name of cyclohexen-1-yl-(5-fluoro-2-methylphenyl)methanamine (CID 63047741) is cyclohexen-1-yl-(5-fluoro-2-methylphenyl)methanamine.
What is the SMILES notation for cyclohexen-1-yl-(5-fluoro-2-methylphenyl)methanamine?
The canonical SMILES for cyclohexen-1-yl-(5-fluoro-2-methylphenyl)methanamine is Cc1ccc(F)cc1C(N)C1=CCCCC1.
What is the InChIKey of cyclohexen-1-yl-(5-fluoro-2-methylphenyl)methanamine?
The InChIKey is YBYQSINDIUHPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN/c1-10-7-8-12(15)9-13(10)14(16)11-5-3-2-4-6-11/h5,7-9,14H,2-4,6,16H2,1H3.
What are the key properties of cyclohexen-1-yl-(5-fluoro-2-methylphenyl)methanamine?
cyclohexen-1-yl-(5-fluoro-2-methylphenyl)methanamine has a molecular weight of 219.30 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl-(5-fluoro-2-methylphenyl)methanamine is sourced from PubChem (CID 63047741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).