N-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine

C16H24FN — CID 105372322

IUPACN-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine
SMILESCCNC1CCCCC1Cc1cc(F)ccc1C
InChIInChI=1S/C16H24FN/c1-3-18-16-7-5-4-6-13(16)10-14-11-15(17)9-8-12(14)2/h8-9,11,13,16,18H,3-7,10H2,1-2H3
InChIKeySDZSQWHRBLLQBC-UHFFFAOYSA-N
MW249.37 g/mol
LogP3.84
Rot. Bonds4

About N-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine

N-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine (PubChem CID 105372322) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is N-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine
PubChem CID105372322
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC NameN-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine
SMILESCCNC1CCCCC1Cc1cc(F)ccc1C
InChIInChI=1S/C16H24FN/c1-3-18-16-7-5-4-6-13(16)10-14-11-15(17)9-8-12(14)2/h8-9,11,13,16,18H,3-7,10H2,1-2H3
InChIKeySDZSQWHRBLLQBC-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]-4-methylcyclohexan-1-amine
CID 105372334
2-[(2,4-difluorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 62197668
[2-[(5-fluoro-2-methylphenyl)methyl]cyclohexyl]methanamine
CID 105376265
N-ethyl-2-[(2-methylphenyl)methyl]cyclopentan-1-amine
CID 61381447
2-[(3,4-dimethylphenyl)methyl]-N-ethylcyclopentan-1-amine
CID 54978274
N-[[2-[(5-fluoro-2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 105376313
2-[(2,5-dimethylphenyl)methyl]-N-propylcyclopentan-1-amine
CID 54957693
N-ethyl-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexan-1-amine
CID 66364918
N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentan-1-amine
CID 104792652
2-[(2-methylphenyl)methyl]-N-propylcyclohexan-1-amine
CID 61382239
N-[(2,5-difluorophenyl)methyl]-2-ethylcyclohexan-1-amine
CID 43709240
3-[(5-fluoro-2-methylphenyl)methyl]-N-propylcycloheptan-1-amine
CID 105375525

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of N-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine (CID 105372322) is N-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for N-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine is CCNC1CCCCC1Cc1cc(F)ccc1C.
What is the InChIKey of N-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine?
The InChIKey is SDZSQWHRBLLQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-3-18-16-7-5-4-6-13(16)10-14-11-15(17)9-8-12(14)2/h8-9,11,13,16,18H,3-7,10H2,1-2H3.
What are the key properties of N-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine?
N-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine has a molecular weight of 249.37 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 105372322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).