N-[1-(2-fluorophenyl)ethyl]-N-methylcyclohexanecarboximidamide

C16H23FN2 — CID 63181963

IUPACN-[1-(2-fluorophenyl)ethyl]-N-methylcyclohexanecarboximidamide
SMILES[H]/N=C(\C1CCCCC1)N(C)C(C)c1ccccc1F
InChIInChI=1S/C16H23FN2/c1-12(14-10-6-7-11-15(14)17)19(2)16(18)13-8-4-3-5-9-13/h6-7,10-13,18H,3-5,8-9H2,1-2H3/b18-16+
InChIKeyDIJDHMQVLJSQBL-FBMGVBCBSA-N
MW262.37 g/mol
LogP4.38
Rot. Bonds3

About N-[1-(2-fluorophenyl)ethyl]-N-methylcyclohexanecarboximidamide

N-[1-(2-fluorophenyl)ethyl]-N-methylcyclohexanecarboximidamide (PubChem CID 63181963) has the molecular formula C16H23FN2 and a molecular weight of 262.37 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethyl]-N-methylcyclohexanecarboximidamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethyl]-N-methylcyclohexanecarboximidamide
PubChem CID63181963
Molecular FormulaC16H23FN2
Molecular Weight262.37 g/mol
Exact Mass262.18
IUPAC NameN-[1-(2-fluorophenyl)ethyl]-N-methylcyclohexanecarboximidamide
SMILES[H]/N=C(\C1CCCCC1)N(C)C(C)c1ccccc1F
InChIInChI=1S/C16H23FN2/c1-12(14-10-6-7-11-15(14)17)19(2)16(18)13-8-4-3-5-9-13/h6-7,10-13,18H,3-5,8-9H2,1-2H3/b18-16+
InChIKeyDIJDHMQVLJSQBL-FBMGVBCBSA-N
XLogP4.38
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(diaminomethylidene)-1-[1-(2-fluorophenyl)ethyl]-1-methylguanidine
CID 83034891
N-[1-(2-fluorophenyl)ethyl]-N-methylpiperidine-1-carboxamide
CID 115589121
N-[1-(2-fluorophenyl)ethyl]-N-methylazepane-1-carboxamide
CID 116655796
cis-(1R,3S)-3-[[(1R)-1-(2-fluorophenyl)ethyl]-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124778911
trans-(1S,3S)-3-[[(1R)-1-(2-fluorophenyl)ethyl]-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124552997
(3R)-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methylpiperidine-3-carboxamide
CID 93370008
trans-(1R,2R)-2-[1-(2-fluorophenyl)ethyl-methylamino]cyclohexan-1-ol
CID 104954596
3-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1-[1-(2-fluorophenyl)ethyl]-1-methylurea
CID 55816833
1-cyclopentyl-N'-[1-(2-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine
CID 104746052
3-[cyclohexyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997052
N-[1-[1-(2-fluorophenyl)ethyl-methylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110013976
8,8-difluoro-N-[1-(2-fluorophenyl)ethyl]-N-methyldispiro[2.0.34.13]octane-6-carboxamide
CID 167767344

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethyl]-N-methylcyclohexanecarboximidamide?
The IUPAC name of N-[1-(2-fluorophenyl)ethyl]-N-methylcyclohexanecarboximidamide (CID 63181963) is N-[1-(2-fluorophenyl)ethyl]-N-methylcyclohexanecarboximidamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethyl]-N-methylcyclohexanecarboximidamide?
The canonical SMILES for N-[1-(2-fluorophenyl)ethyl]-N-methylcyclohexanecarboximidamide is [H]/N=C(\C1CCCCC1)N(C)C(C)c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)ethyl]-N-methylcyclohexanecarboximidamide?
The InChIKey is DIJDHMQVLJSQBL-FBMGVBCBSA-N. The full InChI is InChI=1S/C16H23FN2/c1-12(14-10-6-7-11-15(14)17)19(2)16(18)13-8-4-3-5-9-13/h6-7,10-13,18H,3-5,8-9H2,1-2H3/b18-16+.
What are the key properties of N-[1-(2-fluorophenyl)ethyl]-N-methylcyclohexanecarboximidamide?
N-[1-(2-fluorophenyl)ethyl]-N-methylcyclohexanecarboximidamide has a molecular weight of 262.37 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)ethyl]-N-methylcyclohexanecarboximidamide is sourced from PubChem (CID 63181963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).