2-ethyl-1-(2-fluoro-3-methoxyphenyl)-N-methylhexan-1-amine

C16H26FNO — CID 105024920

IUPAC2-ethyl-1-(2-fluoro-3-methoxyphenyl)-N-methylhexan-1-amine
SMILESCCCCC(CC)C(NC)c1cccc(OC)c1F
InChIInChI=1S/C16H26FNO/c1-5-7-9-12(6-2)16(18-3)13-10-8-11-14(19-4)15(13)17/h8,10-12,16,18H,5-7,9H2,1-4H3
InChIKeyFQLFPDPPBOYORA-UHFFFAOYSA-N
MW267.39 g/mol
LogP4.31
Rot. Bonds8

About 2-ethyl-1-(2-fluoro-3-methoxyphenyl)-N-methylhexan-1-amine

2-ethyl-1-(2-fluoro-3-methoxyphenyl)-N-methylhexan-1-amine (PubChem CID 105024920) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-ethyl-1-(2-fluoro-3-methoxyphenyl)-N-methylhexan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-(2-fluoro-3-methoxyphenyl)-N-methylhexan-1-amine
PubChem CID105024920
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name2-ethyl-1-(2-fluoro-3-methoxyphenyl)-N-methylhexan-1-amine
SMILESCCCCC(CC)C(NC)c1cccc(OC)c1F
InChIInChI=1S/C16H26FNO/c1-5-7-9-12(6-2)16(18-3)13-10-8-11-14(19-4)15(13)17/h8,10-12,16,18H,5-7,9H2,1-4H3
InChIKeyFQLFPDPPBOYORA-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-(2-fluoro-3-methoxyphenyl)hexan-1-ol
CID 115828563
2-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methylhexan-1-amine
CID 62868133
1-(2-methoxyphenyl)-N-methyl-2-propylpentan-1-amine
CID 115792570
1-(2-fluoro-3-methoxyphenyl)-N,2,3-trimethylbutan-1-amine
CID 105024933
1-(2-methoxyphenyl)-N,2-dimethylhexan-1-amine
CID 114246284
1-(2-fluoro-3-methoxyphenyl)nonan-1-amine
CID 105025092
2-ethyl-1-(4-methoxy-3-methylphenyl)-N-methylhexan-1-amine
CID 43487417
2-ethoxy-N-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-amine
CID 116717005
1-(2-fluoro-3-methoxyphenyl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 116757780
4-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N-methylbutan-1-amine
CID 105174760
1-(2,3-dimethoxyphenyl)-N-methylpentan-1-amine
CID 105125537
N-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-amine
CID 82807914

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-fluoro-3-methoxyphenyl)-N-methylhexan-1-amine?
The IUPAC name of 2-ethyl-1-(2-fluoro-3-methoxyphenyl)-N-methylhexan-1-amine (CID 105024920) is 2-ethyl-1-(2-fluoro-3-methoxyphenyl)-N-methylhexan-1-amine.
What is the SMILES notation for 2-ethyl-1-(2-fluoro-3-methoxyphenyl)-N-methylhexan-1-amine?
The canonical SMILES for 2-ethyl-1-(2-fluoro-3-methoxyphenyl)-N-methylhexan-1-amine is CCCCC(CC)C(NC)c1cccc(OC)c1F.
What is the InChIKey of 2-ethyl-1-(2-fluoro-3-methoxyphenyl)-N-methylhexan-1-amine?
The InChIKey is FQLFPDPPBOYORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-5-7-9-12(6-2)16(18-3)13-10-8-11-14(19-4)15(13)17/h8,10-12,16,18H,5-7,9H2,1-4H3.
What are the key properties of 2-ethyl-1-(2-fluoro-3-methoxyphenyl)-N-methylhexan-1-amine?
2-ethyl-1-(2-fluoro-3-methoxyphenyl)-N-methylhexan-1-amine has a molecular weight of 267.39 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-fluoro-3-methoxyphenyl)-N-methylhexan-1-amine is sourced from PubChem (CID 105024920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).