2-(cyclohexen-1-yl)-N-[(2,6-difluorophenyl)methyl]ethanamine

C15H19F2N — CID 30056275

IUPAC2-(cyclohexen-1-yl)-N-[(2,6-difluorophenyl)methyl]ethanamine
SMILESFc1cccc(F)c1CNCCC1=CCCCC1
InChIInChI=1S/C15H19F2N/c16-14-7-4-8-15(17)13(14)11-18-10-9-12-5-2-1-3-6-12/h4-5,7-8,18H,1-3,6,9-11H2
InChIKeyZOPBIUDBXPZRII-UHFFFAOYSA-N
MW251.32 g/mol
LogP3.94
Rot. Bonds5

About 2-(cyclohexen-1-yl)-N-[(2,6-difluorophenyl)methyl]ethanamine

2-(cyclohexen-1-yl)-N-[(2,6-difluorophenyl)methyl]ethanamine (PubChem CID 30056275) has the molecular formula C15H19F2N and a molecular weight of 251.32 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-[(2,6-difluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-[(2,6-difluorophenyl)methyl]ethanamine
PubChem CID30056275
Molecular FormulaC15H19F2N
Molecular Weight251.32 g/mol
Exact Mass251.15
IUPAC Name2-(cyclohexen-1-yl)-N-[(2,6-difluorophenyl)methyl]ethanamine
SMILESFc1cccc(F)c1CNCCC1=CCCCC1
InChIInChI=1S/C15H19F2N/c16-14-7-4-8-15(17)13(14)11-18-10-9-12-5-2-1-3-6-12/h4-5,7-8,18H,1-3,6,9-11H2
InChIKeyZOPBIUDBXPZRII-UHFFFAOYSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclohexen-1-yl)-N-[[3-[[2-(cyclohexen-1-yl)ethylamino]methyl]phenyl]methyl]ethanamine
CID 142601205
N-[(2-bromo-3-fluorophenyl)methyl]-2-(cyclopenten-1-yl)ethanamine
CID 114153936
N-benzyl-2-(cyclohexen-1-yl)ethanamine;hydrochloride
CID 11948838
2-(cyclohexen-1-yl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 17206520
1-[2-(cyclohexen-1-yl)ethyl]-3-(2,6-difluorophenyl)thiourea
CID 100601941
N-[[2-[(2-chloro-6-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-2-(cyclohexen-1-yl)ethanamine
CID 124781848
2-(cyclohexen-1-yl)-N-[(3-methylphenyl)methyl]ethanamine chloride
CID 19627969
2-(cyclohexen-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 17210199
N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-(cyclohexen-1-yl)ethanamine
CID 66532151
2-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 17206949
N-[[2-bromo-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-(cyclohexen-1-yl)ethanamine
CID 66535369
2-(cyclohexen-1-yl)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 17210091

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-[(2,6-difluorophenyl)methyl]ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-N-[(2,6-difluorophenyl)methyl]ethanamine (CID 30056275) is 2-(cyclohexen-1-yl)-N-[(2,6-difluorophenyl)methyl]ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-[(2,6-difluorophenyl)methyl]ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-[(2,6-difluorophenyl)methyl]ethanamine is Fc1cccc(F)c1CNCCC1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-[(2,6-difluorophenyl)methyl]ethanamine?
The InChIKey is ZOPBIUDBXPZRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N/c16-14-7-4-8-15(17)13(14)11-18-10-9-12-5-2-1-3-6-12/h4-5,7-8,18H,1-3,6,9-11H2.
What are the key properties of 2-(cyclohexen-1-yl)-N-[(2,6-difluorophenyl)methyl]ethanamine?
2-(cyclohexen-1-yl)-N-[(2,6-difluorophenyl)methyl]ethanamine has a molecular weight of 251.32 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-[(2,6-difluorophenyl)methyl]ethanamine is sourced from PubChem (CID 30056275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).