4-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]cyclohexan-1-amine

C17H26FNO — CID 43225789

IUPAC4-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]cyclohexan-1-amine
SMILESCCC1CCC(NC(C)c2ccc(OC)c(F)c2)CC1
InChIInChI=1S/C17H26FNO/c1-4-13-5-8-15(9-6-13)19-12(2)14-7-10-17(20-3)16(18)11-14/h7,10-13,15,19H,4-6,8-9H2,1-3H3
InChIKeyJVHIZSBFCHDJOI-UHFFFAOYSA-N
MW279.40 g/mol
LogP4.45
Rot. Bonds5

About 4-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]cyclohexan-1-amine

4-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]cyclohexan-1-amine (PubChem CID 43225789) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 4-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]cyclohexan-1-amine
PubChem CID43225789
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name4-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]cyclohexan-1-amine
SMILESCCC1CCC(NC(C)c2ccc(OC)c(F)c2)CC1
InChIInChI=1S/C17H26FNO/c1-4-13-5-8-15(9-6-13)19-12(2)14-7-10-17(20-3)16(18)11-14/h7,10-13,15,19H,4-6,8-9H2,1-3H3
InChIKeyJVHIZSBFCHDJOI-UHFFFAOYSA-N
XLogP4.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]-4-ethylcycloheptan-1-amine
CID 65083844
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methylcyclobutan-1-amine
CID 115892503
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 80705092
4-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 81376641
2-(cyclopropylamino)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 65101361
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-propylcyclopropan-1-amine
CID 103902769
3-ethyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]cyclopentan-1-amine
CID 81397757
N-cyclopropyl-2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]acetamide
CID 43401121
[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]cyclopentyl]methanol
CID 103786056
3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]oxolan-2-one
CID 43824150
(3-ethylcyclohexyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 65414540
(1S)-2-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 94248825

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 4-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]cyclohexan-1-amine (CID 43225789) is 4-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]cyclohexan-1-amine is CCC1CCC(NC(C)c2ccc(OC)c(F)c2)CC1.
What is the InChIKey of 4-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]cyclohexan-1-amine?
The InChIKey is JVHIZSBFCHDJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-4-13-5-8-15(9-6-13)19-12(2)14-7-10-17(20-3)16(18)11-14/h7,10-13,15,19H,4-6,8-9H2,1-3H3.
What are the key properties of 4-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]cyclohexan-1-amine?
4-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]cyclohexan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 43225789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).