1-[2-(4-fluoro-2-methoxy-3-methylphenyl)ethyl]cyclopropan-1-amine

C13H18FNO — CID 105480780

IUPAC1-[2-(4-fluoro-2-methoxy-3-methylphenyl)ethyl]cyclopropan-1-amine
SMILESCOc1c(CCC2(N)CC2)ccc(F)c1C
InChIInChI=1S/C13H18FNO/c1-9-11(14)4-3-10(12(9)16-2)5-6-13(15)7-8-13/h3-4H,5-8,15H2,1-2H3
InChIKeyYBGJAVHAFNRAQH-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.57
Rot. Bonds4

About 1-[2-(4-fluoro-2-methoxy-3-methylphenyl)ethyl]cyclopropan-1-amine

1-[2-(4-fluoro-2-methoxy-3-methylphenyl)ethyl]cyclopropan-1-amine (PubChem CID 105480780) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 1-[2-(4-fluoro-2-methoxy-3-methylphenyl)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(4-fluoro-2-methoxy-3-methylphenyl)ethyl]cyclopropan-1-amine
PubChem CID105480780
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name1-[2-(4-fluoro-2-methoxy-3-methylphenyl)ethyl]cyclopropan-1-amine
SMILESCOc1c(CCC2(N)CC2)ccc(F)c1C
InChIInChI=1S/C13H18FNO/c1-9-11(14)4-3-10(12(9)16-2)5-6-13(15)7-8-13/h3-4H,5-8,15H2,1-2H3
InChIKeyYBGJAVHAFNRAQH-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Methoxyphenyl)-1,1-dimethylethylamine
CID 91892
[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]methanamine;hydrochloride
CID 44572758
cis-(1S,2R)-1-ethyl-2-(3-methoxyphenyl)cyclopropan-1-amine;hydrochloride
CID 118730209
[(1R,2R)-2-(5-fluoro-2-propoxyphenyl)cyclopropyl]methanamine;hydrochloride
CID 118733815
Lumocaserin hydrochloride
CID 118733817
[2-(2,3-Difluoro-6-methoxyphenyl)cyclopropyl]methanamine;hydrochloride
CID 127028088
[2-(4,5-Difluoro-2-methoxyphenyl)cyclopropyl]methanamine;hydrochloride
CID 127028406
[2-Fluoro-2-(5-fluoro-2-methoxyphenyl)cyclopropyl]methanamine;hydrochloride
CID 155539960
[(1S,2S)-2-[5-(3-fluorophenyl)-2-methoxyphenyl]cyclopropyl]methanamine;hydrochloride
CID 70681339
[(1S,2S)-2-[5-(2-fluorophenyl)-2-methoxyphenyl]cyclopropyl]methanamine;hydrochloride
CID 70696048
[(1S,2S)-2-[5-(4-fluorophenyl)-2-methoxyphenyl]cyclopropyl]methanamine;hydrochloride
CID 70696050
trans-(1S,2S)-2-fluoro-2-(3-methoxyphenyl)cyclopropan-1-amine
CID 137643447

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluoro-2-methoxy-3-methylphenyl)ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(4-fluoro-2-methoxy-3-methylphenyl)ethyl]cyclopropan-1-amine (CID 105480780) is 1-[2-(4-fluoro-2-methoxy-3-methylphenyl)ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(4-fluoro-2-methoxy-3-methylphenyl)ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(4-fluoro-2-methoxy-3-methylphenyl)ethyl]cyclopropan-1-amine is COc1c(CCC2(N)CC2)ccc(F)c1C.
What is the InChIKey of 1-[2-(4-fluoro-2-methoxy-3-methylphenyl)ethyl]cyclopropan-1-amine?
The InChIKey is YBGJAVHAFNRAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9-11(14)4-3-10(12(9)16-2)5-6-13(15)7-8-13/h3-4H,5-8,15H2,1-2H3.
What are the key properties of 1-[2-(4-fluoro-2-methoxy-3-methylphenyl)ethyl]cyclopropan-1-amine?
1-[2-(4-fluoro-2-methoxy-3-methylphenyl)ethyl]cyclopropan-1-amine has a molecular weight of 223.29 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluoro-2-methoxy-3-methylphenyl)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 105480780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).