2-(cyclohexen-1-yl)-1-(3-fluorophenyl)-N-methylethanamine

C15H20FN — CID 116661610

IUPAC2-(cyclohexen-1-yl)-1-(3-fluorophenyl)-N-methylethanamine
SMILESCNC(CC1=CCCCC1)c1cccc(F)c1
InChIInChI=1S/C15H20FN/c1-17-15(10-12-6-3-2-4-7-12)13-8-5-9-14(16)11-13/h5-6,8-9,11,15,17H,2-4,7,10H2,1H3
InChIKeyOWIRNFXIIAEJHN-UHFFFAOYSA-N
MW233.33 g/mol
LogP3.98
Rot. Bonds4

About 2-(cyclohexen-1-yl)-1-(3-fluorophenyl)-N-methylethanamine

2-(cyclohexen-1-yl)-1-(3-fluorophenyl)-N-methylethanamine (PubChem CID 116661610) has the molecular formula C15H20FN and a molecular weight of 233.33 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-(3-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-(3-fluorophenyl)-N-methylethanamine
PubChem CID116661610
Molecular FormulaC15H20FN
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC Name2-(cyclohexen-1-yl)-1-(3-fluorophenyl)-N-methylethanamine
SMILESCNC(CC1=CCCCC1)c1cccc(F)c1
InChIInChI=1S/C15H20FN/c1-17-15(10-12-6-3-2-4-7-12)13-8-5-9-14(16)11-13/h5-6,8-9,11,15,17H,2-4,7,10H2,1H3
InChIKeyOWIRNFXIIAEJHN-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 53.98
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

2-(cyclohexen-1-yl)-1-(3-cyclopropyloxyphenyl)-N-methylethanamine
CID 114522221
2-(cyclohexen-1-yl)-N-methyl-1-naphthalen-2-ylethanamine
CID 116661619
2-(cyclohexen-1-yl)-1-(2,3-difluorophenyl)-N-methylethanamine
CID 116661577
2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylethanamine
CID 116661434
1-(4-chloro-3-methoxyphenyl)-2-(cyclohexen-1-yl)-N-methylethanamine
CID 116661458
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
2-(cyclohexen-1-yl)-1-(4-ethoxyphenyl)-N-methylethanamine
CID 116661553
[1-(3-chlorophenyl)-2-(cyclohexen-1-yl)ethyl]hydrazine
CID 105270128
2-(2-fluorophenyl)-1-(3-fluorophenyl)-N-methylethanamine
CID 54945904
1-(3-fluorophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine
CID 116950529
2-(cyclohexen-1-yl)-N-ethyl-1-(3-propan-2-yloxyphenyl)ethanamine
CID 116661791
1-(3-cyclobutylphenyl)-2-(cyclohexen-1-yl)-N-ethylethanamine
CID 114604658

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-(3-fluorophenyl)-N-methylethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-1-(3-fluorophenyl)-N-methylethanamine (CID 116661610) is 2-(cyclohexen-1-yl)-1-(3-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-(3-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-(3-fluorophenyl)-N-methylethanamine is CNC(CC1=CCCCC1)c1cccc(F)c1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-(3-fluorophenyl)-N-methylethanamine?
The InChIKey is OWIRNFXIIAEJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN/c1-17-15(10-12-6-3-2-4-7-12)13-8-5-9-14(16)11-13/h5-6,8-9,11,15,17H,2-4,7,10H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-1-(3-fluorophenyl)-N-methylethanamine?
2-(cyclohexen-1-yl)-1-(3-fluorophenyl)-N-methylethanamine has a molecular weight of 233.33 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-(3-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 116661610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).