1-[1-(4-fluoro-2,3-dimethoxy-6-methylphenyl)cyclopropyl]ethanamine

C14H20FNO2 — CID 117386300

IUPAC1-[1-(4-fluoro-2,3-dimethoxy-6-methylphenyl)cyclopropyl]ethanamine
SMILESCOc1c(F)cc(C)c(C2(C(C)N)CC2)c1OC
InChIInChI=1S/C14H20FNO2/c1-8-7-10(15)12(17-3)13(18-4)11(8)14(5-6-14)9(2)16/h7,9H,5-6,16H2,1-4H3
InChIKeyXHKKGJSKDVLWDL-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.53
Rot. Bonds4

About 1-[1-(4-fluoro-2,3-dimethoxy-6-methylphenyl)cyclopropyl]ethanamine

1-[1-(4-fluoro-2,3-dimethoxy-6-methylphenyl)cyclopropyl]ethanamine (PubChem CID 117386300) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-[1-(4-fluoro-2,3-dimethoxy-6-methylphenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(4-fluoro-2,3-dimethoxy-6-methylphenyl)cyclopropyl]ethanamine
PubChem CID117386300
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name1-[1-(4-fluoro-2,3-dimethoxy-6-methylphenyl)cyclopropyl]ethanamine
SMILESCOc1c(F)cc(C)c(C2(C(C)N)CC2)c1OC
InChIInChI=1S/C14H20FNO2/c1-8-7-10(15)12(17-3)13(18-4)11(8)14(5-6-14)9(2)16/h7,9H,5-6,16H2,1-4H3
InChIKeyXHKKGJSKDVLWDL-UHFFFAOYSA-N
XLogP2.53
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluoro-2,3-dimethoxy-6-methylphenyl)cyclopentan-1-amine
CID 117386100
1-[1-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117382009
5-[1-(1-aminoethyl)cyclopropyl]-3-fluoro-2-methoxyphenol
CID 117323547
3-[1-(1-aminoethyl)cyclopropyl]-4-chloro-5-fluoro-2-methoxyphenol
CID 117403514
1-[1-(3,4,5-trifluoro-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117364491
1-[1-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]cyclopropyl]ethanamine
CID 117355040
1-[1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]cyclopropyl]ethanamine
CID 117386287
1-[1-(3-chloro-2,6-difluoro-4-methoxyphenyl)cyclopropyl]ethanamine
CID 117409100
1-[1-(6-bromo-3,4-dimethoxy-2-methylphenyl)cyclopropyl]ethanamine
CID 117499649
1-[1-(3-bromo-2-methoxy-4-methylphenyl)cyclopropyl]ethanamine
CID 117457314
1-fluoro-4-(1-isocyanatocyclopentyl)-2,3-dimethoxy-5-methylbenzene
CID 117447718
2-[1-(1-aminoethyl)cyclopropyl]-3-bromo-4-fluoro-6-methoxyphenol
CID 117489178

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluoro-2,3-dimethoxy-6-methylphenyl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(4-fluoro-2,3-dimethoxy-6-methylphenyl)cyclopropyl]ethanamine (CID 117386300) is 1-[1-(4-fluoro-2,3-dimethoxy-6-methylphenyl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(4-fluoro-2,3-dimethoxy-6-methylphenyl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(4-fluoro-2,3-dimethoxy-6-methylphenyl)cyclopropyl]ethanamine is COc1c(F)cc(C)c(C2(C(C)N)CC2)c1OC.
What is the InChIKey of 1-[1-(4-fluoro-2,3-dimethoxy-6-methylphenyl)cyclopropyl]ethanamine?
The InChIKey is XHKKGJSKDVLWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-8-7-10(15)12(17-3)13(18-4)11(8)14(5-6-14)9(2)16/h7,9H,5-6,16H2,1-4H3.
What are the key properties of 1-[1-(4-fluoro-2,3-dimethoxy-6-methylphenyl)cyclopropyl]ethanamine?
1-[1-(4-fluoro-2,3-dimethoxy-6-methylphenyl)cyclopropyl]ethanamine has a molecular weight of 253.32 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluoro-2,3-dimethoxy-6-methylphenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 117386300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).