1-(4-fluoro-3-methoxyphenyl)-5-methyl-N-propylhexan-1-amine

C17H28FNO — CID 105028526

IUPAC1-(4-fluoro-3-methoxyphenyl)-5-methyl-N-propylhexan-1-amine
SMILESCCCNC(CCCC(C)C)c1ccc(F)c(OC)c1
InChIInChI=1S/C17H28FNO/c1-5-11-19-16(8-6-7-13(2)3)14-9-10-15(18)17(12-14)20-4/h9-10,12-13,16,19H,5-8,11H2,1-4H3
InChIKeyHJUJWWVXHJNVPQ-UHFFFAOYSA-N
MW281.42 g/mol
LogP4.70
Rot. Bonds9

About 1-(4-fluoro-3-methoxyphenyl)-5-methyl-N-propylhexan-1-amine

1-(4-fluoro-3-methoxyphenyl)-5-methyl-N-propylhexan-1-amine (PubChem CID 105028526) has the molecular formula C17H28FNO and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-(4-fluoro-3-methoxyphenyl)-5-methyl-N-propylhexan-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-3-methoxyphenyl)-5-methyl-N-propylhexan-1-amine
PubChem CID105028526
Molecular FormulaC17H28FNO
Molecular Weight281.42 g/mol
Exact Mass281.22
IUPAC Name1-(4-fluoro-3-methoxyphenyl)-5-methyl-N-propylhexan-1-amine
SMILESCCCNC(CCCC(C)C)c1ccc(F)c(OC)c1
InChIInChI=1S/C17H28FNO/c1-5-11-19-16(8-6-7-13(2)3)14-9-10-15(18)17(12-14)20-4/h9-10,12-13,16,19H,5-8,11H2,1-4H3
InChIKeyHJUJWWVXHJNVPQ-UHFFFAOYSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-3-methylphenyl)-5-methyl-N-propylhexan-1-amine
CID 83161130
1-(4-methoxyphenyl)-5-methyl-N-propylhexan-1-amine
CID 83161012
5-methyl-N-propyl-1-(3,4,5-trifluorophenyl)hexan-1-amine
CID 83161134
1-(3,4-dimethoxyphenyl)-N-propylheptan-1-amine
CID 63414063
1-(4-fluoro-3-methoxyphenyl)pentylhydrazine
CID 105293751
1-(3,4-dimethoxyphenyl)-N-propylbutan-1-amine
CID 43494599
1-(3-methoxy-4-methylphenyl)-N-propyloctan-1-amine
CID 115832136
1-(4-fluoro-3-methylphenyl)-4-methyl-N-propylpentan-1-amine
CID 63413988
N-ethyl-1-(4-fluoro-3-methoxyphenyl)-3-methylbutan-1-amine
CID 115782357
1-(4-fluoro-3-methoxyphenyl)octylhydrazine
CID 105293533
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]pentan-1-amine
CID 82993667
1-(3-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 115849720

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-5-methyl-N-propylhexan-1-amine?
The IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-5-methyl-N-propylhexan-1-amine (CID 105028526) is 1-(4-fluoro-3-methoxyphenyl)-5-methyl-N-propylhexan-1-amine.
What is the SMILES notation for 1-(4-fluoro-3-methoxyphenyl)-5-methyl-N-propylhexan-1-amine?
The canonical SMILES for 1-(4-fluoro-3-methoxyphenyl)-5-methyl-N-propylhexan-1-amine is CCCNC(CCCC(C)C)c1ccc(F)c(OC)c1.
What is the InChIKey of 1-(4-fluoro-3-methoxyphenyl)-5-methyl-N-propylhexan-1-amine?
The InChIKey is HJUJWWVXHJNVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FNO/c1-5-11-19-16(8-6-7-13(2)3)14-9-10-15(18)17(12-14)20-4/h9-10,12-13,16,19H,5-8,11H2,1-4H3.
What are the key properties of 1-(4-fluoro-3-methoxyphenyl)-5-methyl-N-propylhexan-1-amine?
1-(4-fluoro-3-methoxyphenyl)-5-methyl-N-propylhexan-1-amine has a molecular weight of 281.42 g/mol, XLogP of 4.70, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methoxyphenyl)-5-methyl-N-propylhexan-1-amine is sourced from PubChem (CID 105028526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).