N-[(2,5-difluorophenyl)methyl]-2-ethylcyclohexan-1-amine

C15H21F2N — CID 43709240

IUPACN-[(2,5-difluorophenyl)methyl]-2-ethylcyclohexan-1-amine
SMILESCCC1CCCCC1NCc1cc(F)ccc1F
InChIInChI=1S/C15H21F2N/c1-2-11-5-3-4-6-15(11)18-10-12-9-13(16)7-8-14(12)17/h7-9,11,15,18H,2-6,10H2,1H3
InChIKeyMFPQJRHKFNTLLL-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.02
Rot. Bonds4

About N-[(2,5-difluorophenyl)methyl]-2-ethylcyclohexan-1-amine

N-[(2,5-difluorophenyl)methyl]-2-ethylcyclohexan-1-amine (PubChem CID 43709240) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-2-ethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-2-ethylcyclohexan-1-amine
PubChem CID43709240
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC NameN-[(2,5-difluorophenyl)methyl]-2-ethylcyclohexan-1-amine
SMILESCCC1CCCCC1NCc1cc(F)ccc1F
InChIInChI=1S/C15H21F2N/c1-2-11-5-3-4-6-15(11)18-10-12-9-13(16)7-8-14(12)17/h7-9,11,15,18H,2-6,10H2,1H3
InChIKeyMFPQJRHKFNTLLL-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[[(2-ethylcyclohexyl)amino]methyl]-4-fluorophenol
CID 103948073
2-(chloromethyl)-N-[(2,5-difluorophenyl)methyl]cyclohexan-1-amine
CID 106365209
2-ethyl-N-[(2-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 102876314
2-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]cyclohexan-1-amine
CID 106365303
trans-(1S,2R)-2-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine
CID 93046208
N-[1-(2,5-difluorophenyl)ethyl]-2-ethylcyclohexan-1-amine
CID 43709409
1-(2,4-difluorophenyl)-2-[(2-ethylcyclohexyl)amino]ethanol
CID 61467080
N-[(5-chloro-2-fluorophenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine
CID 106365036
N-[(2-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)cyclohexan-1-amine
CID 106365244
N-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine
CID 105372322
2-tert-butyl-N-[(2,4-difluorophenyl)methyl]cyclohexan-1-amine
CID 43433182
2-[(2,4-difluorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 62197668

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-2-ethylcyclohexan-1-amine?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-2-ethylcyclohexan-1-amine (CID 43709240) is N-[(2,5-difluorophenyl)methyl]-2-ethylcyclohexan-1-amine.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-2-ethylcyclohexan-1-amine?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-2-ethylcyclohexan-1-amine is CCC1CCCCC1NCc1cc(F)ccc1F.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-2-ethylcyclohexan-1-amine?
The InChIKey is MFPQJRHKFNTLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-2-11-5-3-4-6-15(11)18-10-12-9-13(16)7-8-14(12)17/h7-9,11,15,18H,2-6,10H2,1H3.
What are the key properties of N-[(2,5-difluorophenyl)methyl]-2-ethylcyclohexan-1-amine?
N-[(2,5-difluorophenyl)methyl]-2-ethylcyclohexan-1-amine has a molecular weight of 253.34 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-2-ethylcyclohexan-1-amine is sourced from PubChem (CID 43709240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).