1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-fluorophenyl)methyl]methanamine

C16H22FN — CID 103276026

IUPAC1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-fluorophenyl)methyl]methanamine
SMILESCC1=CC(C)CC(CNCc2ccc(F)cc2)C1
InChIInChI=1S/C16H22FN/c1-12-7-13(2)9-15(8-12)11-18-10-14-3-5-16(17)6-4-14/h3-7,12,15,18H,8-11H2,1-2H3
InChIKeyHFVFEXCNVRFSKX-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.91
Rot. Bonds4

About 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-fluorophenyl)methyl]methanamine

1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-fluorophenyl)methyl]methanamine (PubChem CID 103276026) has the molecular formula C16H22FN and a molecular weight of 247.36 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-fluorophenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-fluorophenyl)methyl]methanamine
PubChem CID103276026
Molecular FormulaC16H22FN
Molecular Weight247.36 g/mol
Exact Mass247.17
IUPAC Name1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-fluorophenyl)methyl]methanamine
SMILESCC1=CC(C)CC(CNCc2ccc(F)cc2)C1
InChIInChI=1S/C16H22FN/c1-12-7-13(2)9-15(8-12)11-18-10-14-3-5-16(17)6-4-14/h3-7,12,15,18H,8-11H2,1-2H3
InChIKeyHFVFEXCNVRFSKX-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.91
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

1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-ethylphenyl)methyl]methanamine
CID 106899565
1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-propan-2-ylphenyl)methyl]methanamine
CID 103276706
1-cyclobutyl-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]methanamine
CID 103276186
1-(3,5-dimethylcyclohex-3-en-1-yl)-N-(1H-imidazol-5-ylmethyl)methanamine
CID 103276866
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(3,5-dimethylcyclohex-3-en-1-yl)methanamine
CID 103276092
N-[(2-chlorophenyl)methyl]-1-(3,5-dimethylcyclohex-3-en-1-yl)methanamine
CID 103275983
1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 103276900
3-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclopentan-1-ol
CID 106121040
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 103277162
3-[[(4-fluorophenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270748
2-(5-chlorothiophen-2-yl)-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]ethanamine
CID 114139953
4-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213417

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-fluorophenyl)methyl]methanamine?
The IUPAC name of 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-fluorophenyl)methyl]methanamine (CID 103276026) is 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-fluorophenyl)methyl]methanamine.
What is the SMILES notation for 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-fluorophenyl)methyl]methanamine?
The canonical SMILES for 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-fluorophenyl)methyl]methanamine is CC1=CC(C)CC(CNCc2ccc(F)cc2)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-fluorophenyl)methyl]methanamine?
The InChIKey is HFVFEXCNVRFSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN/c1-12-7-13(2)9-15(8-12)11-18-10-14-3-5-16(17)6-4-14/h3-7,12,15,18H,8-11H2,1-2H3.
What are the key properties of 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-fluorophenyl)methyl]methanamine?
1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-fluorophenyl)methyl]methanamine has a molecular weight of 247.36 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-fluorophenyl)methyl]methanamine is sourced from PubChem (CID 103276026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).