N-[(1R)-1-(4-ethoxy-3-fluorophenyl)ethyl]pentan-1-amine

C15H24FNO — CID 29064082

IUPACN-[(1R)-1-(4-ethoxy-3-fluorophenyl)ethyl]pentan-1-amine
SMILESCCCCCN[C@H](C)c1ccc(OCC)c(F)c1
InChIInChI=1S/C15H24FNO/c1-4-6-7-10-17-12(3)13-8-9-15(18-5-2)14(16)11-13/h8-9,11-12,17H,4-7,10H2,1-3H3/t12-/m1/s1
InChIKeyZESZTUSRWPDDGD-GFCCVEGCSA-N
MW253.36 g/mol
LogP4.07
Rot. Bonds8

About N-[(1R)-1-(4-ethoxy-3-fluorophenyl)ethyl]pentan-1-amine

N-[(1R)-1-(4-ethoxy-3-fluorophenyl)ethyl]pentan-1-amine (PubChem CID 29064082) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is N-[(1R)-1-(4-ethoxy-3-fluorophenyl)ethyl]pentan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-ethoxy-3-fluorophenyl)ethyl]pentan-1-amine
PubChem CID29064082
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC NameN-[(1R)-1-(4-ethoxy-3-fluorophenyl)ethyl]pentan-1-amine
SMILESCCCCCN[C@H](C)c1ccc(OCC)c(F)c1
InChIInChI=1S/C15H24FNO/c1-4-6-7-10-17-12(3)13-8-9-15(18-5-2)14(16)11-13/h8-9,11-12,17H,4-7,10H2,1-3H3/t12-/m1/s1
InChIKeyZESZTUSRWPDDGD-GFCCVEGCSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-(4-ethoxy-3-fluorophenyl)ethyl]-3-methylbutan-1-amine
CID 28702275
N-[1-(3,4-difluorophenyl)ethyl]pentan-1-amine
CID 43177678
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]pentan-1-amine
CID 82993667
N-[1-(4-chloro-3-fluorophenyl)ethyl]decan-1-amine
CID 83059630
N-[1-[3-fluoro-4-(2-propoxyethoxy)phenyl]ethyl]propan-1-amine
CID 63685288
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-7-methyloctan-1-amine
CID 43100590
3-[[2-fluoro-4-[1-(propylamino)ethyl]phenoxy]methyl]pentan-3-ol
CID 114492396
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-methylsulfanylbutan-1-amine
CID 115721453
1-[2-fluoro-4-[1-(propylamino)ethyl]phenoxy]-2-methylbutan-2-ol
CID 114492395
N-[1-[3-fluoro-4-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 43285404
N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]pentan-1-amine
CID 29064023
N-[1-(3,4-dimethylphenyl)ethyl]octan-1-amine
CID 115566559

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-ethoxy-3-fluorophenyl)ethyl]pentan-1-amine?
The IUPAC name of N-[(1R)-1-(4-ethoxy-3-fluorophenyl)ethyl]pentan-1-amine (CID 29064082) is N-[(1R)-1-(4-ethoxy-3-fluorophenyl)ethyl]pentan-1-amine.
What is the SMILES notation for N-[(1R)-1-(4-ethoxy-3-fluorophenyl)ethyl]pentan-1-amine?
The canonical SMILES for N-[(1R)-1-(4-ethoxy-3-fluorophenyl)ethyl]pentan-1-amine is CCCCCN[C@H](C)c1ccc(OCC)c(F)c1.
What is the InChIKey of N-[(1R)-1-(4-ethoxy-3-fluorophenyl)ethyl]pentan-1-amine?
The InChIKey is ZESZTUSRWPDDGD-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H24FNO/c1-4-6-7-10-17-12(3)13-8-9-15(18-5-2)14(16)11-13/h8-9,11-12,17H,4-7,10H2,1-3H3/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(4-ethoxy-3-fluorophenyl)ethyl]pentan-1-amine?
N-[(1R)-1-(4-ethoxy-3-fluorophenyl)ethyl]pentan-1-amine has a molecular weight of 253.36 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-ethoxy-3-fluorophenyl)ethyl]pentan-1-amine is sourced from PubChem (CID 29064082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).