2-(cyclohexen-1-yl)-1-(2,3-difluorophenyl)-N-methylethanamine

C15H19F2N — CID 116661577

IUPAC2-(cyclohexen-1-yl)-1-(2,3-difluorophenyl)-N-methylethanamine
SMILESCNC(CC1=CCCCC1)c1cccc(F)c1F
InChIInChI=1S/C15H19F2N/c1-18-14(10-11-6-3-2-4-7-11)12-8-5-9-13(16)15(12)17/h5-6,8-9,14,18H,2-4,7,10H2,1H3
InChIKeyFZVWXPSFYRERLU-UHFFFAOYSA-N
MW251.32 g/mol
LogP4.12
Rot. Bonds4

About 2-(cyclohexen-1-yl)-1-(2,3-difluorophenyl)-N-methylethanamine

2-(cyclohexen-1-yl)-1-(2,3-difluorophenyl)-N-methylethanamine (PubChem CID 116661577) has the molecular formula C15H19F2N and a molecular weight of 251.32 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-(2,3-difluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-(2,3-difluorophenyl)-N-methylethanamine
PubChem CID116661577
Molecular FormulaC15H19F2N
Molecular Weight251.32 g/mol
Exact Mass251.15
IUPAC Name2-(cyclohexen-1-yl)-1-(2,3-difluorophenyl)-N-methylethanamine
SMILESCNC(CC1=CCCCC1)c1cccc(F)c1F
InChIInChI=1S/C15H19F2N/c1-18-14(10-11-6-3-2-4-7-11)12-8-5-9-13(16)15(12)17/h5-6,8-9,14,18H,2-4,7,10H2,1H3
InChIKeyFZVWXPSFYRERLU-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 54.12
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-fluorophenyl)-N-methylethanamine
CID 116661610
[2-(cyclohexen-1-yl)-1-(2,3-difluoro-4-methylphenyl)ethyl]hydrazine
CID 107516515
N-[2-(cyclohexen-1-yl)-1-(2-fluoro-3-methoxyphenyl)ethyl]propan-1-amine
CID 116662158
1-(cyclohexen-1-yl)-2-(2-fluorophenyl)-N-methylethanamine
CID 62078161
1-(cyclohepten-1-yl)-2-(2-fluorophenyl)-N-methylethanamine
CID 62078209
[2-(cyclohexen-1-yl)-1-(2,3-dimethylphenyl)ethyl]hydrazine
CID 105269900
2-(cyclohexen-1-yl)-1-(4-ethoxyphenyl)-N-methylethanamine
CID 116661553
2-(cyclohexen-1-yl)-N-methyl-1-naphthalen-2-ylethanamine
CID 116661619
1-(2,3-difluorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 105050986
2-(cyclohexen-1-yl)-1-(3-cyclopropyloxyphenyl)-N-methylethanamine
CID 114522221
1-(2,3-difluorophenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105377188
N-[2-(cyclohexen-1-yl)-1-(2,3-dichlorophenyl)ethyl]propan-1-amine
CID 116662088

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-(2,3-difluorophenyl)-N-methylethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-1-(2,3-difluorophenyl)-N-methylethanamine (CID 116661577) is 2-(cyclohexen-1-yl)-1-(2,3-difluorophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-(2,3-difluorophenyl)-N-methylethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-(2,3-difluorophenyl)-N-methylethanamine is CNC(CC1=CCCCC1)c1cccc(F)c1F.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-(2,3-difluorophenyl)-N-methylethanamine?
The InChIKey is FZVWXPSFYRERLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N/c1-18-14(10-11-6-3-2-4-7-11)12-8-5-9-13(16)15(12)17/h5-6,8-9,14,18H,2-4,7,10H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-1-(2,3-difluorophenyl)-N-methylethanamine?
2-(cyclohexen-1-yl)-1-(2,3-difluorophenyl)-N-methylethanamine has a molecular weight of 251.32 g/mol, XLogP of 4.12, 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-(2,3-difluorophenyl)-N-methylethanamine is sourced from PubChem (CID 116661577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).