N-[1-(4-cyclohexyloxy-2-fluorophenyl)ethyl]propan-1-amine

C17H26FNO — CID 107717660

IUPACN-[1-(4-cyclohexyloxy-2-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(OC2CCCCC2)cc1F
InChIInChI=1S/C17H26FNO/c1-3-11-19-13(2)16-10-9-15(12-17(16)18)20-14-7-5-4-6-8-14/h9-10,12-14,19H,3-8,11H2,1-2H3
InChIKeyILEHKYFIXKCNHZ-UHFFFAOYSA-N
MW279.40 g/mol
LogP4.60
Rot. Bonds6

About N-[1-(4-cyclohexyloxy-2-fluorophenyl)ethyl]propan-1-amine

N-[1-(4-cyclohexyloxy-2-fluorophenyl)ethyl]propan-1-amine (PubChem CID 107717660) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is N-[1-(4-cyclohexyloxy-2-fluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-cyclohexyloxy-2-fluorophenyl)ethyl]propan-1-amine
PubChem CID107717660
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC NameN-[1-(4-cyclohexyloxy-2-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(OC2CCCCC2)cc1F
InChIInChI=1S/C17H26FNO/c1-3-11-19-13(2)16-10-9-15(12-17(16)18)20-14-7-5-4-6-8-14/h9-10,12-14,19H,3-8,11H2,1-2H3
InChIKeyILEHKYFIXKCNHZ-UHFFFAOYSA-N
XLogP4.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-cyclopentyloxy-5-fluorophenyl)ethyl]propan-1-amine
CID 43284936
1-[4-(3,4-dimethylcyclohexyl)oxy-2-fluorophenyl]-N-ethylethanamine
CID 107717054
N-(2-cyclohexyloxyethyl)-1-(2,4-difluorophenyl)ethanamine
CID 63826183
1-[3-fluoro-4-[1-(propylamino)ethyl]phenoxy]-2-methylpropan-2-ol
CID 107717911
N-[1-[2-fluoro-4-(2-methoxypropoxy)phenyl]ethyl]propan-1-amine
CID 107717881
N-[1-[2-fluoro-4-(1-methoxypropan-2-yloxy)phenyl]ethyl]propan-1-amine
CID 107717617
N-[1-(2-fluoro-4-pent-3-ynoxyphenyl)ethyl]propan-1-amine
CID 107717623
N-[cyclopentyl-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 43561568
N-[1-[4-(2-chloroprop-2-enoxy)-2-fluorophenyl]ethyl]propan-1-amine
CID 107717673
2-[3-fluoro-4-[1-(propylamino)ethyl]phenoxy]butanenitrile
CID 107717983
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]pentan-1-amine
CID 43757588
3-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-1-methylpyrrolidin-2-one
CID 107717043

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyclohexyloxy-2-fluorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4-cyclohexyloxy-2-fluorophenyl)ethyl]propan-1-amine (CID 107717660) is N-[1-(4-cyclohexyloxy-2-fluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-cyclohexyloxy-2-fluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-cyclohexyloxy-2-fluorophenyl)ethyl]propan-1-amine is CCCNC(C)c1ccc(OC2CCCCC2)cc1F.
What is the InChIKey of N-[1-(4-cyclohexyloxy-2-fluorophenyl)ethyl]propan-1-amine?
The InChIKey is ILEHKYFIXKCNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-3-11-19-13(2)16-10-9-15(12-17(16)18)20-14-7-5-4-6-8-14/h9-10,12-14,19H,3-8,11H2,1-2H3.
What are the key properties of N-[1-(4-cyclohexyloxy-2-fluorophenyl)ethyl]propan-1-amine?
N-[1-(4-cyclohexyloxy-2-fluorophenyl)ethyl]propan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyclohexyloxy-2-fluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 107717660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).