[1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclopropyl]methanamine

C13H18FNO — CID 117320148

IUPAC[1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclopropyl]methanamine
SMILESCCc1c(F)cc(C2(CN)CC2)cc1OC
InChIInChI=1S/C13H18FNO/c1-3-10-11(14)6-9(7-12(10)16-2)13(8-15)4-5-13/h6-7H,3-5,8,15H2,1-2H3
InChIKeyCICUMEYRSVCHDC-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.39
Rot. Bonds4

About [1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclopropyl]methanamine

[1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclopropyl]methanamine (PubChem CID 117320148) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is [1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclopropyl]methanamine
PubChem CID117320148
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name[1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclopropyl]methanamine
SMILESCCc1c(F)cc(C2(CN)CC2)cc1OC
InChIInChI=1S/C13H18FNO/c1-3-10-11(14)6-9(7-12(10)16-2)13(8-15)4-5-13/h6-7H,3-5,8,15H2,1-2H3
InChIKeyCICUMEYRSVCHDC-UHFFFAOYSA-N
XLogP2.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclobutyl]methanamine
CID 117347270
[1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclohexyl]methanamine
CID 117418082
[1-(3-fluoro-5-methoxy-4-methylphenyl)cyclopropyl]methanamine
CID 117298894
1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclobutan-1-amine
CID 117320267
[1-[3,5-difluoro-4-(methoxymethyl)phenyl]cyclopentyl]methanamine
CID 117391287
[1-(3-fluoro-4-methoxyphenyl)cyclobutyl]methanamine
CID 131328420
[1-(3-methoxy-4-methylsulfanylphenyl)cyclopropyl]methanamine
CID 117320792
[1-(4-ethoxy-3-methoxyphenyl)cyclopropyl]methanamine
CID 116989217
5-[1-(aminomethyl)cyclopropyl]-2-chloro-3-methoxyphenol
CID 84791834
4-[1-(aminomethyl)cyclopropyl]-2,6-difluorophenol
CID 84775167
2,5-diethyl-1-fluoro-3-methoxybenzene
CID 175600199
[1-(4-bromo-3,5-difluorophenyl)cyclopropyl]methanamine
CID 84806909

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclopropyl]methanamine?
The IUPAC name of [1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclopropyl]methanamine (CID 117320148) is [1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclopropyl]methanamine is CCc1c(F)cc(C2(CN)CC2)cc1OC.
What is the InChIKey of [1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclopropyl]methanamine?
The InChIKey is CICUMEYRSVCHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-3-10-11(14)6-9(7-12(10)16-2)13(8-15)4-5-13/h6-7H,3-5,8,15H2,1-2H3.
What are the key properties of [1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclopropyl]methanamine?
[1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclopropyl]methanamine has a molecular weight of 223.29 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 117320148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).