1-(2-fluoro-3-methoxyphenyl)-5-methyl-N-propylhexan-2-amine

C17H28FNO — CID 104793861

IUPAC1-(2-fluoro-3-methoxyphenyl)-5-methyl-N-propylhexan-2-amine
SMILESCCCNC(CCC(C)C)Cc1cccc(OC)c1F
InChIInChI=1S/C17H28FNO/c1-5-11-19-15(10-9-13(2)3)12-14-7-6-8-16(20-4)17(14)18/h6-8,13,15,19H,5,9-12H2,1-4H3
InChIKeyHYRPUCZSDFKSIU-UHFFFAOYSA-N
MW281.41 g/mol
LogP4.18
Rot. Bonds9

About 1-(2-fluoro-3-methoxyphenyl)-5-methyl-N-propylhexan-2-amine

1-(2-fluoro-3-methoxyphenyl)-5-methyl-N-propylhexan-2-amine (PubChem CID 104793861) has the molecular formula C17H28FNO and a molecular weight of 281.41 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-5-methyl-N-propylhexan-2-amine.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-5-methyl-N-propylhexan-2-amine
PubChem CID104793861
Molecular FormulaC17H28FNO
Molecular Weight281.41 g/mol
Exact Mass281.22
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-5-methyl-N-propylhexan-2-amine
SMILESCCCNC(CCC(C)C)Cc1cccc(OC)c1F
InChIInChI=1S/C17H28FNO/c1-5-11-19-15(10-9-13(2)3)12-14-7-6-8-16(20-4)17(14)18/h6-8,13,15,19H,5,9-12H2,1-4H3
InChIKeyHYRPUCZSDFKSIU-UHFFFAOYSA-N
XLogP4.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-3-methoxyphenyl)-N-propylhexan-2-amine
CID 104794123
1-(2-fluoro-3-methoxyphenyl)-4-propoxy-N-propylbutan-2-amine
CID 105180625
1-(2-fluoro-3-methoxyphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 104793996
4,4,4-trifluoro-1-(2-fluoro-3-methoxyphenyl)-N-propylbutan-2-amine
CID 104793850
1-(3-chloro-2-fluorophenyl)-5-methyl-N-propylhexan-2-amine
CID 82805491
5-(2-fluoro-3-methoxyphenyl)-4-methyl-N-propylpentan-2-amine
CID 104795127
1-(2-fluoro-3-methoxyphenyl)-4-methyl-N-propylpentan-3-amine
CID 82811862
N-ethyl-1-(2-fluoro-3-methoxyphenyl)-3-methylsulfanylpropan-2-amine
CID 104793912
N-[(2-fluoro-3-methoxyphenyl)methyl]hexan-2-amine
CID 113453549
1-(2-fluoro-3-methoxyphenyl)-N,3-dimethylhexan-2-amine
CID 105035410
4-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N-methylbutan-2-amine
CID 105180616
4-(2,2-difluoroethoxy)-1-(2-methoxyphenyl)-N-propylbutan-2-amine
CID 103150052

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-5-methyl-N-propylhexan-2-amine?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-5-methyl-N-propylhexan-2-amine (CID 104793861) is 1-(2-fluoro-3-methoxyphenyl)-5-methyl-N-propylhexan-2-amine.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-5-methyl-N-propylhexan-2-amine?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-5-methyl-N-propylhexan-2-amine is CCCNC(CCC(C)C)Cc1cccc(OC)c1F.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-5-methyl-N-propylhexan-2-amine?
The InChIKey is HYRPUCZSDFKSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FNO/c1-5-11-19-15(10-9-13(2)3)12-14-7-6-8-16(20-4)17(14)18/h6-8,13,15,19H,5,9-12H2,1-4H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-5-methyl-N-propylhexan-2-amine?
1-(2-fluoro-3-methoxyphenyl)-5-methyl-N-propylhexan-2-amine has a molecular weight of 281.41 g/mol, XLogP of 4.18, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methoxyphenyl)-5-methyl-N-propylhexan-2-amine is sourced from PubChem (CID 104793861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).