5-(2-fluoro-3-methoxyphenyl)-4-methyl-N-propylpentan-2-amine

C16H26FNO — CID 104795127

IUPAC5-(2-fluoro-3-methoxyphenyl)-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)Cc1cccc(OC)c1F
InChIInChI=1S/C16H26FNO/c1-5-9-18-13(3)10-12(2)11-14-7-6-8-15(19-4)16(14)17/h6-8,12-13,18H,5,9-11H2,1-4H3
InChIKeyHCRMSULTLIWOQM-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.79
Rot. Bonds8

About 5-(2-fluoro-3-methoxyphenyl)-4-methyl-N-propylpentan-2-amine

5-(2-fluoro-3-methoxyphenyl)-4-methyl-N-propylpentan-2-amine (PubChem CID 104795127) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is 5-(2-fluoro-3-methoxyphenyl)-4-methyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name5-(2-fluoro-3-methoxyphenyl)-4-methyl-N-propylpentan-2-amine
PubChem CID104795127
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name5-(2-fluoro-3-methoxyphenyl)-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)Cc1cccc(OC)c1F
InChIInChI=1S/C16H26FNO/c1-5-9-18-13(3)10-12(2)11-14-7-6-8-15(19-4)16(14)17/h6-8,12-13,18H,5,9-11H2,1-4H3
InChIKeyHCRMSULTLIWOQM-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2,3-difluorophenyl)-4-methyl-N-propylpentan-2-amine
CID 64718771
1-(2-fluoro-3-methoxyphenyl)-5-methyl-N-propylhexan-2-amine
CID 104793861
1-(2-fluoro-3-methoxyphenyl)-N-propylhexan-2-amine
CID 104794123
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-(2-fluoro-3-methoxyphenyl)-4-methyl-N-propylpentan-3-amine
CID 82811862
1-(2-fluoro-3-methoxyphenyl)-4-propoxy-N-propylbutan-2-amine
CID 105180625
N-[(2-fluoro-3-methoxyphenyl)methyl]hexan-2-amine
CID 113453549
N-[1-[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 104792966
1-(2,3-difluorophenyl)-N-propylpropan-2-amine
CID 62601742
N-[2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 105180698
N-[2-(2-fluoro-3-methoxyphenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine
CID 105180640

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-3-methoxyphenyl)-4-methyl-N-propylpentan-2-amine?
The IUPAC name of 5-(2-fluoro-3-methoxyphenyl)-4-methyl-N-propylpentan-2-amine (CID 104795127) is 5-(2-fluoro-3-methoxyphenyl)-4-methyl-N-propylpentan-2-amine.
What is the SMILES notation for 5-(2-fluoro-3-methoxyphenyl)-4-methyl-N-propylpentan-2-amine?
The canonical SMILES for 5-(2-fluoro-3-methoxyphenyl)-4-methyl-N-propylpentan-2-amine is CCCNC(C)CC(C)Cc1cccc(OC)c1F.
What is the InChIKey of 5-(2-fluoro-3-methoxyphenyl)-4-methyl-N-propylpentan-2-amine?
The InChIKey is HCRMSULTLIWOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-5-9-18-13(3)10-12(2)11-14-7-6-8-15(19-4)16(14)17/h6-8,12-13,18H,5,9-11H2,1-4H3.
What are the key properties of 5-(2-fluoro-3-methoxyphenyl)-4-methyl-N-propylpentan-2-amine?
5-(2-fluoro-3-methoxyphenyl)-4-methyl-N-propylpentan-2-amine has a molecular weight of 267.39 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-3-methoxyphenyl)-4-methyl-N-propylpentan-2-amine is sourced from PubChem (CID 104795127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).