1-(5-fluoro-2-propoxyphenyl)propan-2-amine

C12H18FNO — CID 103694484

IUPAC1-(5-fluoro-2-propoxyphenyl)propan-2-amine
SMILESCCCOc1ccc(F)cc1CC(C)N
InChIInChI=1S/C12H18FNO/c1-3-6-15-12-5-4-11(13)8-10(12)7-9(2)14/h4-5,8-9H,3,6-7,14H2,1-2H3
InChIKeyVFIICSFGMJULCU-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.50
Rot. Bonds5

About 1-(5-fluoro-2-propoxyphenyl)propan-2-amine

1-(5-fluoro-2-propoxyphenyl)propan-2-amine (PubChem CID 103694484) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 1-(5-fluoro-2-propoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-propoxyphenyl)propan-2-amine
PubChem CID103694484
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name1-(5-fluoro-2-propoxyphenyl)propan-2-amine
SMILESCCCOc1ccc(F)cc1CC(C)N
InChIInChI=1S/C12H18FNO/c1-3-6-15-12-5-4-11(13)8-10(12)7-9(2)14/h4-5,8-9H,3,6-7,14H2,1-2H3
InChIKeyVFIICSFGMJULCU-UHFFFAOYSA-N
XLogP2.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethoxy-5-fluorophenyl)propan-2-amine
CID 55254144
1-(5-fluoro-2-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890525
1-[5-fluoro-2-[2-(2-methylpropoxy)ethoxy]phenyl]propan-2-amine
CID 107700851
1-(5-fluoro-2-pent-3-ynoxyphenyl)propan-2-amine
CID 107700673
4-fluoro-2-(2-methylpent-3-ynyl)-1-propoxybenzene
CID 83944195
4-(5-fluoro-2-propoxyphenyl)-3-methylbutanethioamide
CID 83944175
1-[5-fluoro-2-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]propan-2-amine
CID 107700941
1-(5-butan-2-yl-2-propoxyphenyl)propan-2-amine
CID 170891440
1-(5-fluoro-2-heptoxyphenyl)butan-2-amine
CID 107701259
1-[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]propan-2-amine
CID 107700843
6-(5-fluoro-2-propoxyphenyl)hexan-3-amine
CID 83944180
1-[2-(2,5-difluorophenoxy)-5-fluorophenyl]propan-2-amine
CID 63803167

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-propoxyphenyl)propan-2-amine?
The IUPAC name of 1-(5-fluoro-2-propoxyphenyl)propan-2-amine (CID 103694484) is 1-(5-fluoro-2-propoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(5-fluoro-2-propoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(5-fluoro-2-propoxyphenyl)propan-2-amine is CCCOc1ccc(F)cc1CC(C)N.
What is the InChIKey of 1-(5-fluoro-2-propoxyphenyl)propan-2-amine?
The InChIKey is VFIICSFGMJULCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-3-6-15-12-5-4-11(13)8-10(12)7-9(2)14/h4-5,8-9H,3,6-7,14H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-propoxyphenyl)propan-2-amine?
1-(5-fluoro-2-propoxyphenyl)propan-2-amine has a molecular weight of 211.28 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-propoxyphenyl)propan-2-amine is sourced from PubChem (CID 103694484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).