1-(5-fluoro-2-methoxyphenyl)-1-N-methylpentane-1,4-diamine

C13H21FN2O — CID 116949834

IUPAC1-(5-fluoro-2-methoxyphenyl)-1-N-methylpentane-1,4-diamine
SMILESCNC(CCC(C)N)c1cc(F)ccc1OC
InChIInChI=1S/C13H21FN2O/c1-9(15)4-6-12(16-2)11-8-10(14)5-7-13(11)17-3/h5,7-9,12,16H,4,6,15H2,1-3H3
InChIKeyDUCLRKXFIVTLIW-UHFFFAOYSA-N
MW240.32 g/mol
LogP2.22
Rot. Bonds6

About 1-(5-fluoro-2-methoxyphenyl)-1-N-methylpentane-1,4-diamine

1-(5-fluoro-2-methoxyphenyl)-1-N-methylpentane-1,4-diamine (PubChem CID 116949834) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-1-N-methylpentane-1,4-diamine.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-1-N-methylpentane-1,4-diamine
PubChem CID116949834
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-1-N-methylpentane-1,4-diamine
SMILESCNC(CCC(C)N)c1cc(F)ccc1OC
InChIInChI=1S/C13H21FN2O/c1-9(15)4-6-12(16-2)11-8-10(14)5-7-13(11)17-3/h5,7-9,12,16H,4,6,15H2,1-3H3
InChIKeyDUCLRKXFIVTLIW-UHFFFAOYSA-N
XLogP2.22
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-1-N-methylpentane-1,4-diamine
CID 116949835
1-(5-fluoro-2-methoxyphenyl)-4-methoxy-N-methylbutan-1-amine
CID 82769055
1-(5-fluoro-2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105176598
1-(5-fluoro-2-methoxyphenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 82769952
4-ethoxy-1-(5-fluoro-2-methoxyphenyl)-N-methylbutan-1-amine
CID 105176513
1-(5-fluoro-2-methoxyphenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine
CID 116950446
(1S)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 171224945
1-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 43485635
1-(5-fluoro-2-methoxyphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 43485634
1-(5-fluoro-2-methoxyphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105176576
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43485624
(1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171205367

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-1-N-methylpentane-1,4-diamine?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-1-N-methylpentane-1,4-diamine (CID 116949834) is 1-(5-fluoro-2-methoxyphenyl)-1-N-methylpentane-1,4-diamine.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-1-N-methylpentane-1,4-diamine?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-1-N-methylpentane-1,4-diamine is CNC(CCC(C)N)c1cc(F)ccc1OC.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-1-N-methylpentane-1,4-diamine?
The InChIKey is DUCLRKXFIVTLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-9(15)4-6-12(16-2)11-8-10(14)5-7-13(11)17-3/h5,7-9,12,16H,4,6,15H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-1-N-methylpentane-1,4-diamine?
1-(5-fluoro-2-methoxyphenyl)-1-N-methylpentane-1,4-diamine has a molecular weight of 240.32 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)-1-N-methylpentane-1,4-diamine is sourced from PubChem (CID 116949834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).