N-[1-cyclohexyl-2-(2,4-difluorophenoxy)ethyl]propan-1-amine

C17H25F2NO — CID 104748323

IUPACN-[1-cyclohexyl-2-(2,4-difluorophenoxy)ethyl]propan-1-amine
SMILESCCCNC(COc1ccc(F)cc1F)C1CCCCC1
InChIInChI=1S/C17H25F2NO/c1-2-10-20-16(13-6-4-3-5-7-13)12-21-17-9-8-14(18)11-15(17)19/h8-9,11,13,16,20H,2-7,10,12H2,1H3
InChIKeySTUSIHYKAWEGPV-UHFFFAOYSA-N
MW297.39 g/mol
LogP4.29
Rot. Bonds7

About N-[1-cyclohexyl-2-(2,4-difluorophenoxy)ethyl]propan-1-amine

N-[1-cyclohexyl-2-(2,4-difluorophenoxy)ethyl]propan-1-amine (PubChem CID 104748323) has the molecular formula C17H25F2NO and a molecular weight of 297.39 g/mol. Its IUPAC name is N-[1-cyclohexyl-2-(2,4-difluorophenoxy)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-cyclohexyl-2-(2,4-difluorophenoxy)ethyl]propan-1-amine
PubChem CID104748323
Molecular FormulaC17H25F2NO
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC NameN-[1-cyclohexyl-2-(2,4-difluorophenoxy)ethyl]propan-1-amine
SMILESCCCNC(COc1ccc(F)cc1F)C1CCCCC1
InChIInChI=1S/C17H25F2NO/c1-2-10-20-16(13-6-4-3-5-7-13)12-21-17-9-8-14(18)11-15(17)19/h8-9,11,13,16,20H,2-7,10,12H2,1H3
InChIKeySTUSIHYKAWEGPV-UHFFFAOYSA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-cyclopropyl-2-(2,5-difluorophenoxy)ethyl]propan-1-amine
CID 63906071
N-[1-cyclohexyl-2-(3-fluorophenoxy)ethyl]propan-1-amine
CID 104748574
N-[1-cyclopentyl-2-(2-ethoxyphenoxy)ethyl]propan-1-amine
CID 104748399
N-[2-(5-chloro-2-methylphenoxy)-1-cyclohexylethyl]propan-1-amine
CID 104749569
N-[1-cyclopentyl-2-(2,4-difluorophenyl)sulfanylethyl]propan-1-amine
CID 104755082
N-[2-(2-chlorophenoxy)-1-cyclopentylethyl]propan-1-amine
CID 104749295
N-[cyclooctyl-(2,5-difluorophenyl)methyl]propan-1-amine
CID 65018553
1-cyclopentyl-N-ethyl-2-(2-fluorophenoxy)ethanamine
CID 113448545
N-[1-cyclopentyl-2-(2-propan-2-ylphenoxy)ethyl]propan-1-amine
CID 104748610
N-[1-cyclopentyl-2-(4-ethylphenoxy)ethyl]propan-1-amine
CID 104748438
N-[2-(2-chloro-4-fluorophenyl)-1-cycloheptylethyl]propan-1-amine
CID 65399267
N-[1-cyclopropyl-2-(2,3,5,6-tetrafluorophenoxy)ethyl]propan-1-amine
CID 103289329

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-2-(2,4-difluorophenoxy)ethyl]propan-1-amine?
The IUPAC name of N-[1-cyclohexyl-2-(2,4-difluorophenoxy)ethyl]propan-1-amine (CID 104748323) is N-[1-cyclohexyl-2-(2,4-difluorophenoxy)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-cyclohexyl-2-(2,4-difluorophenoxy)ethyl]propan-1-amine?
The canonical SMILES for N-[1-cyclohexyl-2-(2,4-difluorophenoxy)ethyl]propan-1-amine is CCCNC(COc1ccc(F)cc1F)C1CCCCC1.
What is the InChIKey of N-[1-cyclohexyl-2-(2,4-difluorophenoxy)ethyl]propan-1-amine?
The InChIKey is STUSIHYKAWEGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NO/c1-2-10-20-16(13-6-4-3-5-7-13)12-21-17-9-8-14(18)11-15(17)19/h8-9,11,13,16,20H,2-7,10,12H2,1H3.
What are the key properties of N-[1-cyclohexyl-2-(2,4-difluorophenoxy)ethyl]propan-1-amine?
N-[1-cyclohexyl-2-(2,4-difluorophenoxy)ethyl]propan-1-amine has a molecular weight of 297.39 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclohexyl-2-(2,4-difluorophenoxy)ethyl]propan-1-amine is sourced from PubChem (CID 104748323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).