1-[1-[2-(1-fluoroethyl)-3-methoxyphenyl]cyclopropyl]ethanamine

C14H20FNO — CID 117347308

IUPAC1-[1-[2-(1-fluoroethyl)-3-methoxyphenyl]cyclopropyl]ethanamine
SMILESCOc1cccc(C2(C(C)N)CC2)c1C(C)F
InChIInChI=1S/C14H20FNO/c1-9(15)13-11(5-4-6-12(13)17-3)14(7-8-14)10(2)16/h4-6,9-10H,7-8,16H2,1-3H3
InChIKeyVEAHDKDACVIGTO-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.10
Rot. Bonds4

About 1-[1-[2-(1-fluoroethyl)-3-methoxyphenyl]cyclopropyl]ethanamine

1-[1-[2-(1-fluoroethyl)-3-methoxyphenyl]cyclopropyl]ethanamine (PubChem CID 117347308) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-[1-[2-(1-fluoroethyl)-3-methoxyphenyl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-[2-(1-fluoroethyl)-3-methoxyphenyl]cyclopropyl]ethanamine
PubChem CID117347308
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name1-[1-[2-(1-fluoroethyl)-3-methoxyphenyl]cyclopropyl]ethanamine
SMILESCOc1cccc(C2(C(C)N)CC2)c1C(C)F
InChIInChI=1S/C14H20FNO/c1-9(15)13-11(5-4-6-12(13)17-3)14(7-8-14)10(2)16/h4-6,9-10H,7-8,16H2,1-3H3
InChIKeyVEAHDKDACVIGTO-UHFFFAOYSA-N
XLogP3.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[2-(difluoromethoxy)phenyl]cyclopropyl]ethanamine
CID 117326824
1-[1-[2-(difluoromethyl)-3-fluorophenyl]cyclopropyl]ethanamine
CID 117330234
1-[2-(1-fluoroethyl)-3-methoxyphenyl]cyclobutane-1-carboxylic acid
CID 117383748
1-[1-(2-chloro-6-methoxyphenyl)cyclopropyl]ethanamine
CID 117324448
1-[1-[3-methoxy-2-(thian-4-yloxy)phenyl]cyclopropyl]ethanamine
CID 117492526
1-[1-[5-(1-fluoroethyl)-2,3-dimethoxyphenyl]cyclopropyl]ethanamine
CID 117422055
1-[1-[2-(difluoromethylsulfanyl)phenyl]cyclopropyl]ethanamine
CID 117360639
1-[1-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117382007
1-[1-(3-bromo-2-fluoro-4-methoxyphenyl)cyclopropyl]ethanamine
CID 117465009
(1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)propan-2-ol;hydrochloride
CID 171261396
1-bromo-2-(1-fluoroethyl)-3-methoxybenzene
CID 84696327
1-[1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]cyclopropyl]ethanamine
CID 117473681

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(1-fluoroethyl)-3-methoxyphenyl]cyclopropyl]ethanamine?
The IUPAC name of 1-[1-[2-(1-fluoroethyl)-3-methoxyphenyl]cyclopropyl]ethanamine (CID 117347308) is 1-[1-[2-(1-fluoroethyl)-3-methoxyphenyl]cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-[2-(1-fluoroethyl)-3-methoxyphenyl]cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-[2-(1-fluoroethyl)-3-methoxyphenyl]cyclopropyl]ethanamine is COc1cccc(C2(C(C)N)CC2)c1C(C)F.
What is the InChIKey of 1-[1-[2-(1-fluoroethyl)-3-methoxyphenyl]cyclopropyl]ethanamine?
The InChIKey is VEAHDKDACVIGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-9(15)13-11(5-4-6-12(13)17-3)14(7-8-14)10(2)16/h4-6,9-10H,7-8,16H2,1-3H3.
What are the key properties of 1-[1-[2-(1-fluoroethyl)-3-methoxyphenyl]cyclopropyl]ethanamine?
1-[1-[2-(1-fluoroethyl)-3-methoxyphenyl]cyclopropyl]ethanamine has a molecular weight of 237.32 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(1-fluoroethyl)-3-methoxyphenyl]cyclopropyl]ethanamine is sourced from PubChem (CID 117347308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).