1-(5-fluoro-2-methylphenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine

C16H26FNO — CID 103026106

IUPAC1-(5-fluoro-2-methylphenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)(C)OC)c1cc(F)ccc1C
InChIInChI=1S/C16H26FNO/c1-6-9-18-15(11-16(3,4)19-5)14-10-13(17)8-7-12(14)2/h7-8,10,15,18H,6,9,11H2,1-5H3
InChIKeyHCWBMMLTBGEKCE-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.99
Rot. Bonds7

About 1-(5-fluoro-2-methylphenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine

1-(5-fluoro-2-methylphenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine (PubChem CID 103026106) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine
PubChem CID103026106
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name1-(5-fluoro-2-methylphenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)(C)OC)c1cc(F)ccc1C
InChIInChI=1S/C16H26FNO/c1-6-9-18-15(11-16(3,4)19-5)14-10-13(17)8-7-12(14)2/h7-8,10,15,18H,6,9,11H2,1-5H3
InChIKeyHCWBMMLTBGEKCE-UHFFFAOYSA-N
XLogP3.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine (CID 103026106) is 1-(5-fluoro-2-methylphenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine is CCCNC(CC(C)(C)OC)c1cc(F)ccc1C.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine?
The InChIKey is HCWBMMLTBGEKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-6-9-18-15(11-16(3,4)19-5)14-10-13(17)8-7-12(14)2/h7-8,10,15,18H,6,9,11H2,1-5H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine?
1-(5-fluoro-2-methylphenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine has a molecular weight of 267.39 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 103026106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).