2-ethyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]cyclopropan-1-amine

C14H20FNO — CID 103881379

IUPAC2-ethyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]cyclopropan-1-amine
SMILESCCC1CC1NC(C)c1ccc(F)c(OC)c1
InChIInChI=1S/C14H20FNO/c1-4-10-7-13(10)16-9(2)11-5-6-12(15)14(8-11)17-3/h5-6,8-10,13,16H,4,7H2,1-3H3
InChIKeyXFDFVQSUTIYIQM-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.28
Rot. Bonds5

About 2-ethyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]cyclopropan-1-amine

2-ethyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]cyclopropan-1-amine (PubChem CID 103881379) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-ethyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]cyclopropan-1-amine
PubChem CID103881379
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name2-ethyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]cyclopropan-1-amine
SMILESCCC1CC1NC(C)c1ccc(F)c(OC)c1
InChIInChI=1S/C14H20FNO/c1-4-10-7-13(10)16-9(2)11-5-6-12(15)14(8-11)17-3/h5-6,8-10,13,16H,4,7H2,1-3H3
InChIKeyXFDFVQSUTIYIQM-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-propylcyclopropan-1-amine
CID 103902769
N-[1-(3,4-dimethylphenyl)ethyl]-2-ethylcyclopropan-1-amine
CID 103783786
(1R,2S,4R)-N-[(1S)-1-(4-fluoro-3-methoxyphenyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 129378888
2-ethyl-N-[1-(2-methoxyphenyl)ethyl]cyclopropan-1-amine
CID 103783784
1-(4-fluoro-3-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 82993850
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 82994281
1-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 82994461
N-[(1-cyclopropylcyclopropyl)methyl]-1-(4-fluoro-3-methoxyphenyl)ethanamine
CID 103904137
cis-(1S,3R)-N-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]-3-phenylcyclopentan-1-amine
CID 90768102
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]pentan-1-amine
CID 82993667
4-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 43225789
1-(4-fluoro-3-methoxyphenyl)-N-[2-(4-methylcyclohexyl)ethyl]ethanamine
CID 83059488

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]cyclopropan-1-amine?
The IUPAC name of 2-ethyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]cyclopropan-1-amine (CID 103881379) is 2-ethyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]cyclopropan-1-amine.
What is the SMILES notation for 2-ethyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]cyclopropan-1-amine?
The canonical SMILES for 2-ethyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]cyclopropan-1-amine is CCC1CC1NC(C)c1ccc(F)c(OC)c1.
What is the InChIKey of 2-ethyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]cyclopropan-1-amine?
The InChIKey is XFDFVQSUTIYIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-4-10-7-13(10)16-9(2)11-5-6-12(15)14(8-11)17-3/h5-6,8-10,13,16H,4,7H2,1-3H3.
What are the key properties of 2-ethyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]cyclopropan-1-amine?
2-ethyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]cyclopropan-1-amine has a molecular weight of 237.32 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 103881379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).