1-(3-fluoro-4-methoxyphenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine

C16H26FNO2 — CID 79198045

IUPAC1-(3-fluoro-4-methoxyphenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine
SMILESCCCNC(Cc1ccc(OC)c(F)c1)C(C)(C)OC
InChIInChI=1S/C16H26FNO2/c1-6-9-18-15(16(2,3)20-5)11-12-7-8-14(19-4)13(17)10-12/h7-8,10,15,18H,6,9,11H2,1-5H3
InChIKeyXDAAKRDFSSMEFC-UHFFFAOYSA-N
MW283.39 g/mol
LogP3.17
Rot. Bonds8

About 1-(3-fluoro-4-methoxyphenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine

1-(3-fluoro-4-methoxyphenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine (PubChem CID 79198045) has the molecular formula C16H26FNO2 and a molecular weight of 283.39 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine
PubChem CID79198045
Molecular FormulaC16H26FNO2
Molecular Weight283.39 g/mol
Exact Mass283.19
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine
SMILESCCCNC(Cc1ccc(OC)c(F)c1)C(C)(C)OC
InChIInChI=1S/C16H26FNO2/c1-6-9-18-15(16(2,3)20-5)11-12-7-8-14(19-4)13(17)10-12/h7-8,10,15,18H,6,9,11H2,1-5H3
InChIKeyXDAAKRDFSSMEFC-UHFFFAOYSA-N
XLogP3.17
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine
CID 79047153
[1-(3-fluoro-4-methoxyphenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 105245358
1-(4-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine
CID 79198282
3-methoxy-3-methyl-1-(3-methylphenyl)-N-propylbutan-2-amine
CID 79197006
3-(3-bromo-4-methoxyphenyl)-1,1,1-trifluoro-N-propylpropan-2-amine
CID 115818094
3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-propylbutan-2-amine
CID 64532602
1-(3-fluoro-4-methoxyphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 65131905
1-(3-fluoro-4-methoxyphenyl)-4-propoxy-N-propylbutan-2-amine
CID 105122233
2-fluoro-1-methoxy-4-[(2R)-2-methylpentyl]benzene
CID 59468307
N-[2-(3-fluoro-4-methoxyphenyl)-1-pyrazin-2-ylethyl]propan-1-amine
CID 62601550
N-[2-(3-fluoro-4-methoxyphenyl)-1-pyrimidin-4-ylethyl]propan-1-amine
CID 63990215
1-(3,4-difluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine
CID 82922734

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine (CID 79198045) is 1-(3-fluoro-4-methoxyphenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine is CCCNC(Cc1ccc(OC)c(F)c1)C(C)(C)OC.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine?
The InChIKey is XDAAKRDFSSMEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO2/c1-6-9-18-15(16(2,3)20-5)11-12-7-8-14(19-4)13(17)10-12/h7-8,10,15,18H,6,9,11H2,1-5H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine?
1-(3-fluoro-4-methoxyphenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine has a molecular weight of 283.39 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine is sourced from PubChem (CID 79198045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).