5-(3-fluoro-4-methoxyphenyl)-N-methylpentan-2-amine

C13H20FNO — CID 64503531

IUPAC5-(3-fluoro-4-methoxyphenyl)-N-methylpentan-2-amine
SMILESCNC(C)CCCc1ccc(OC)c(F)c1
InChIInChI=1S/C13H20FNO/c1-10(15-2)5-4-6-11-7-8-13(16-3)12(14)9-11/h7-10,15H,4-6H2,1-3H3
InChIKeyFSAQQIUHKXYNST-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.76
Rot. Bonds6

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

5-(3-fluoro-4-methoxyphenyl)-N-methylpentan-2-amine (PubChem CID 64503531) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 5-(3-fluoro-4-methoxyphenyl)-N-methylpentan-2-amine.

Molecular Properties

Compound Name5-(3-fluoro-4-methoxyphenyl)-N-methylpentan-2-amine
PubChem CID64503531
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name5-(3-fluoro-4-methoxyphenyl)-N-methylpentan-2-amine
SMILESCNC(C)CCCc1ccc(OC)c(F)c1
InChIInChI=1S/C13H20FNO/c1-10(15-2)5-4-6-11-7-8-13(16-3)12(14)9-11/h7-10,15H,4-6H2,1-3H3
InChIKeyFSAQQIUHKXYNST-UHFFFAOYSA-N
XLogP2.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-fluoro-4-methoxyphenyl)-N-propan-2-ylbutan-2-amine
CID 112518328
4-[3-(3-fluoro-4-methoxyphenyl)phenyl]-N-methylbutan-2-amine
CID 82540176
3-(3-fluoro-4-methoxyphenyl)-N-[2-(methylamino)propyl]propanamide
CID 120829586
5-(3-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)pentan-1-amine
CID 65305492
3-(3-fluoro-4-methoxyphenyl)-N-heptan-2-ylpropanamide
CID 134055920
4-(3-fluoro-4-methoxyphenyl)-N,N-dimethylbutan-1-amine
CID 155593714
N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195380
2-fluoro-1-methoxy-4-(7-propan-2-ylsulfonylheptyl)benzene
CID 160748742
1-methoxy-4-(4-methylpentyl)-2-propan-2-ylbenzene
CID 163377100
1-(3-fluoro-4-methoxyphenyl)-5-phenylpentan-2-amine
CID 105122085
1-(4-fluoro-3-methoxyphenyl)-N-methylpropan-2-amine
CID 69036284
4-(5-ethyl-2-methoxyphenyl)-N-methylbutan-2-amine
CID 112517862

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-N-methylpentan-2-amine?
The IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-N-methylpentan-2-amine (CID 64503531) is 5-(3-fluoro-4-methoxyphenyl)-N-methylpentan-2-amine.
What is the SMILES notation for 5-(3-fluoro-4-methoxyphenyl)-N-methylpentan-2-amine?
The canonical SMILES for 5-(3-fluoro-4-methoxyphenyl)-N-methylpentan-2-amine is CNC(C)CCCc1ccc(OC)c(F)c1.
What is the InChIKey of 5-(3-fluoro-4-methoxyphenyl)-N-methylpentan-2-amine?
The InChIKey is FSAQQIUHKXYNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-10(15-2)5-4-6-11-7-8-13(16-3)12(14)9-11/h7-10,15H,4-6H2,1-3H3.
What are the key properties of 5-(3-fluoro-4-methoxyphenyl)-N-methylpentan-2-amine?
5-(3-fluoro-4-methoxyphenyl)-N-methylpentan-2-amine has a molecular weight of 225.31 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methoxyphenyl)-N-methylpentan-2-amine is sourced from PubChem (CID 64503531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).