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

C13H18FNO — CID 83910871

IUPAC1-[3-(2-fluoro-4-methoxyphenyl)propyl]cyclopropan-1-amine
SMILESCOc1ccc(CCCC2(N)CC2)c(F)c1
InChIInChI=1S/C13H18FNO/c1-16-11-5-4-10(12(14)9-11)3-2-6-13(15)7-8-13/h4-5,9H,2-3,6-8,15H2,1H3
InChIKeyMNXIXSABEMZAFX-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.65
Rot. Bonds5

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

1-[3-(2-fluoro-4-methoxyphenyl)propyl]cyclopropan-1-amine (PubChem CID 83910871) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 1-[3-(2-fluoro-4-methoxyphenyl)propyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[3-(2-fluoro-4-methoxyphenyl)propyl]cyclopropan-1-amine
PubChem CID83910871
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name1-[3-(2-fluoro-4-methoxyphenyl)propyl]cyclopropan-1-amine
SMILESCOc1ccc(CCCC2(N)CC2)c(F)c1
InChIInChI=1S/C13H18FNO/c1-16-11-5-4-10(12(14)9-11)3-2-6-13(15)7-8-13/h4-5,9H,2-3,6-8,15H2,1H3
InChIKeyMNXIXSABEMZAFX-UHFFFAOYSA-N
XLogP2.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-fluoro-4-methoxyphenyl)pentan-1-amine
CID 65305702
1-[2-(2,3-difluoro-5-methoxyphenyl)ethyl]cyclopropan-1-amine
CID 105484561
1-[3-(5-chloro-2-methoxyphenyl)propyl]cyclopropan-1-amine
CID 83912543
1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylazetidin-3-amine
CID 102879115
1-[(2,6-difluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine
CID 117303787
(2-fluoro-4-methoxyphenyl)methyl-methylazanide
CID 89077895
N-[3-(2-fluoro-4-methoxyphenyl)propyl]-2-methylpropan-2-amine
CID 103396732
N-ethyl-4-(2-fluoro-4-methoxyphenyl)butan-1-amine
CID 65303375
CID 59418410
CID 59418410
1-[2-(4-fluoro-2-methoxy-3-methylphenyl)ethyl]cyclopropan-1-amine
CID 105480780
N-tert-butyl-4-(2-fluoro-4-methoxyphenyl)butan-1-amine
CID 65303427
1-[2-(4-chloro-2-methoxyphenyl)ethyl]cyclopropan-1-amine
CID 105483503

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluoro-4-methoxyphenyl)propyl]cyclopropan-1-amine?
The IUPAC name of 1-[3-(2-fluoro-4-methoxyphenyl)propyl]cyclopropan-1-amine (CID 83910871) is 1-[3-(2-fluoro-4-methoxyphenyl)propyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[3-(2-fluoro-4-methoxyphenyl)propyl]cyclopropan-1-amine?
The canonical SMILES for 1-[3-(2-fluoro-4-methoxyphenyl)propyl]cyclopropan-1-amine is COc1ccc(CCCC2(N)CC2)c(F)c1.
What is the InChIKey of 1-[3-(2-fluoro-4-methoxyphenyl)propyl]cyclopropan-1-amine?
The InChIKey is MNXIXSABEMZAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-16-11-5-4-10(12(14)9-11)3-2-6-13(15)7-8-13/h4-5,9H,2-3,6-8,15H2,1H3.
What are the key properties of 1-[3-(2-fluoro-4-methoxyphenyl)propyl]cyclopropan-1-amine?
1-[3-(2-fluoro-4-methoxyphenyl)propyl]cyclopropan-1-amine has a molecular weight of 223.29 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluoro-4-methoxyphenyl)propyl]cyclopropan-1-amine is sourced from PubChem (CID 83910871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).