N-[1-cyclohexyl-2-(3-fluorophenoxy)ethyl]propan-1-amine

C17H26FNO — CID 104748574

IUPACN-[1-cyclohexyl-2-(3-fluorophenoxy)ethyl]propan-1-amine
SMILESCCCNC(COc1cccc(F)c1)C1CCCCC1
InChIInChI=1S/C17H26FNO/c1-2-11-19-17(14-7-4-3-5-8-14)13-20-16-10-6-9-15(18)12-16/h6,9-10,12,14,17,19H,2-5,7-8,11,13H2,1H3
InChIKeyLXQQKQGJTOVYIY-UHFFFAOYSA-N
MW279.40 g/mol
LogP4.15
Rot. Bonds7

About N-[1-cyclohexyl-2-(3-fluorophenoxy)ethyl]propan-1-amine

N-[1-cyclohexyl-2-(3-fluorophenoxy)ethyl]propan-1-amine (PubChem CID 104748574) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is N-[1-cyclohexyl-2-(3-fluorophenoxy)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-cyclohexyl-2-(3-fluorophenoxy)ethyl]propan-1-amine
PubChem CID104748574
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC NameN-[1-cyclohexyl-2-(3-fluorophenoxy)ethyl]propan-1-amine
SMILESCCCNC(COc1cccc(F)c1)C1CCCCC1
InChIInChI=1S/C17H26FNO/c1-2-11-19-17(14-7-4-3-5-8-14)13-20-16-10-6-9-15(18)12-16/h6,9-10,12,14,17,19H,2-5,7-8,11,13H2,1H3
InChIKeyLXQQKQGJTOVYIY-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-chlorophenoxy)-1-cyclopentylethyl]propan-1-amine
CID 105080955
N-[1-cyclohexyl-2-(2,4-difluorophenoxy)ethyl]propan-1-amine
CID 104748323
N-[1-cyclopropyl-2-(3-propan-2-ylphenoxy)ethyl]propan-1-amine
CID 63914018
N-[1-cyclopentyl-2-(4-ethylphenoxy)ethyl]propan-1-amine
CID 104748438
3-[2-cyclopropyl-2-(propylamino)ethoxy]-N,N-dimethylaniline
CID 63906270
1-cyclopentyl-N-ethyl-2-(3-methoxyphenoxy)ethanamine
CID 104748428
N-[1-cyclopropyl-2-(2,5-difluorophenoxy)ethyl]propan-1-amine
CID 63906071
N-[1-cyclopentyl-2-(2-ethoxyphenoxy)ethyl]propan-1-amine
CID 104748399
1-cyclohexyl-3-phenoxy-N-propylpropan-1-amine
CID 60798313
N-[1-cyclopropyl-2-(2,3,5,6-tetrafluorophenoxy)ethyl]propan-1-amine
CID 103289329
N-[2-(2-chlorophenoxy)-1-cyclopentylethyl]propan-1-amine
CID 104749295
N-[2-(5-chloro-2-methylphenoxy)-1-cyclohexylethyl]propan-1-amine
CID 104749569

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-2-(3-fluorophenoxy)ethyl]propan-1-amine?
The IUPAC name of N-[1-cyclohexyl-2-(3-fluorophenoxy)ethyl]propan-1-amine (CID 104748574) is N-[1-cyclohexyl-2-(3-fluorophenoxy)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-cyclohexyl-2-(3-fluorophenoxy)ethyl]propan-1-amine?
The canonical SMILES for N-[1-cyclohexyl-2-(3-fluorophenoxy)ethyl]propan-1-amine is CCCNC(COc1cccc(F)c1)C1CCCCC1.
What is the InChIKey of N-[1-cyclohexyl-2-(3-fluorophenoxy)ethyl]propan-1-amine?
The InChIKey is LXQQKQGJTOVYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-2-11-19-17(14-7-4-3-5-8-14)13-20-16-10-6-9-15(18)12-16/h6,9-10,12,14,17,19H,2-5,7-8,11,13H2,1H3.
What are the key properties of N-[1-cyclohexyl-2-(3-fluorophenoxy)ethyl]propan-1-amine?
N-[1-cyclohexyl-2-(3-fluorophenoxy)ethyl]propan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 4.15, 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-(3-fluorophenoxy)ethyl]propan-1-amine is sourced from PubChem (CID 104748574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).