1-(2,5-difluorophenyl)-4-ethylcyclohexan-1-amine

C14H19F2N — CID 62802100

IUPAC1-(2,5-difluorophenyl)-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)(c2cc(F)ccc2F)CC1
InChIInChI=1S/C14H19F2N/c1-2-10-5-7-14(17,8-6-10)12-9-11(15)3-4-13(12)16/h3-4,9-10H,2,5-8,17H2,1H3
InChIKeyGHCUOFVCZVMTMP-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.72
Rot. Bonds2

About 1-(2,5-difluorophenyl)-4-ethylcyclohexan-1-amine

1-(2,5-difluorophenyl)-4-ethylcyclohexan-1-amine (PubChem CID 62802100) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-4-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-4-ethylcyclohexan-1-amine
PubChem CID62802100
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1-(2,5-difluorophenyl)-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)(c2cc(F)ccc2F)CC1
InChIInChI=1S/C14H19F2N/c1-2-10-5-7-14(17,8-6-10)12-9-11(15)3-4-13(12)16/h3-4,9-10H,2,5-8,17H2,1H3
InChIKeyGHCUOFVCZVMTMP-UHFFFAOYSA-N
XLogP3.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-5-fluorophenyl)-4-ethylcyclohexan-1-amine
CID 105394086
1-(2,5-difluorophenyl)-3-methylcyclopentan-1-amine
CID 64515768
1-(2,5-difluorophenyl)cyclopentan-1-amine
CID 62802401
3-ethyl-1-(5-fluoro-2-methoxyphenyl)cyclopentan-1-amine
CID 82769169
ethylcyclopropane;1,2,4-trifluorobenzene
CID 157032368
1-(2-chloro-5-fluorophenyl)-4-propylcycloheptan-1-amine
CID 105394136
1-(2-chloro-5-fluorophenyl)-4-methylcyclohexan-1-amine
CID 105394080
1-[4-ethyl-1-(2-fluorophenyl)cyclohexyl]-2-fluorobenzene
CID 22420584
[1-(aminomethyl)-4-ethylcyclohexyl]-(2,5-difluorophenyl)methanol
CID 79138372
1-[(2,5-difluorophenyl)methyl]-4-ethylcyclohexane-1-carbonitrile
CID 65392862
1-[(2,4-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol
CID 62197513
1-benzyl-4-(2,5-difluorophenyl)piperidin-4-amine
CID 164862876

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-4-ethylcyclohexan-1-amine?
The IUPAC name of 1-(2,5-difluorophenyl)-4-ethylcyclohexan-1-amine (CID 62802100) is 1-(2,5-difluorophenyl)-4-ethylcyclohexan-1-amine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-4-ethylcyclohexan-1-amine?
The canonical SMILES for 1-(2,5-difluorophenyl)-4-ethylcyclohexan-1-amine is CCC1CCC(N)(c2cc(F)ccc2F)CC1.
What is the InChIKey of 1-(2,5-difluorophenyl)-4-ethylcyclohexan-1-amine?
The InChIKey is GHCUOFVCZVMTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-2-10-5-7-14(17,8-6-10)12-9-11(15)3-4-13(12)16/h3-4,9-10H,2,5-8,17H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-4-ethylcyclohexan-1-amine?
1-(2,5-difluorophenyl)-4-ethylcyclohexan-1-amine has a molecular weight of 239.31 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-4-ethylcyclohexan-1-amine is sourced from PubChem (CID 62802100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).