N-[1-[3-fluoro-4-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine

C17H19F2NO — CID 43285404

IUPACN-[1-[3-fluoro-4-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(Oc2ccccc2F)c(F)c1
InChIInChI=1S/C17H19F2NO/c1-3-10-20-12(2)13-8-9-17(15(19)11-13)21-16-7-5-4-6-14(16)18/h4-9,11-12,20H,3,10H2,1-2H3
InChIKeyUVOKGORMWWUXOP-UHFFFAOYSA-N
MW291.34 g/mol
LogP4.82
Rot. Bonds6

About N-[1-[3-fluoro-4-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine

N-[1-[3-fluoro-4-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine (PubChem CID 43285404) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is N-[1-[3-fluoro-4-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[3-fluoro-4-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine
PubChem CID43285404
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC NameN-[1-[3-fluoro-4-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(Oc2ccccc2F)c(F)c1
InChIInChI=1S/C17H19F2NO/c1-3-10-20-12(2)13-8-9-17(15(19)11-13)21-16-7-5-4-6-14(16)18/h4-9,11-12,20H,3,10H2,1-2H3
InChIKeyUVOKGORMWWUXOP-UHFFFAOYSA-N
XLogP4.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[4-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 43285398
N-[1-[3-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 79167760
N-[1-[3-fluoro-4-(4-iodophenoxy)phenyl]ethyl]propan-1-amine
CID 43285920
N-ethyl-1-[3-fluoro-4-(2-methylphenoxy)phenyl]ethanamine
CID 43285513
N-[1-[3-fluoro-4-(2-propoxyethoxy)phenyl]ethyl]propan-1-amine
CID 63685288
N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 60820092
N-[1-(4-ethylsulfanyl-3-fluorophenyl)ethyl]propan-1-amine
CID 43286080
(1R)-1-[3-fluoro-4-(2-fluorophenoxy)phenyl]ethanol
CID 78941573
3-[[2-fluoro-4-[1-(propylamino)ethyl]phenoxy]methyl]pentan-3-ol
CID 114492396
N-[1-[2-(5-bromo-2-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 114673781
N-[1-(3-fluoro-4-propan-2-ylsulfanylphenyl)ethyl]propan-1-amine
CID 60884515
2-fluoro-4-[(1R)-1-(propylamino)ethyl]phenol
CID 29080220

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-fluoro-4-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[3-fluoro-4-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine (CID 43285404) is N-[1-[3-fluoro-4-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[3-fluoro-4-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[3-fluoro-4-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(Oc2ccccc2F)c(F)c1.
What is the InChIKey of N-[1-[3-fluoro-4-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine?
The InChIKey is UVOKGORMWWUXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-3-10-20-12(2)13-8-9-17(15(19)11-13)21-16-7-5-4-6-14(16)18/h4-9,11-12,20H,3,10H2,1-2H3.
What are the key properties of N-[1-[3-fluoro-4-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine?
N-[1-[3-fluoro-4-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine has a molecular weight of 291.34 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-fluoro-4-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 43285404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).