1-[2-(5-fluoro-2-methoxy-4-methylphenyl)ethyl]cyclopropan-1-amine

C13H18FNO — CID 105480784

IUPAC1-[2-(5-fluoro-2-methoxy-4-methylphenyl)ethyl]cyclopropan-1-amine
SMILESCOc1cc(C)c(F)cc1CCC1(N)CC1
InChIInChI=1S/C13H18FNO/c1-9-7-12(16-2)10(8-11(9)14)3-4-13(15)5-6-13/h7-8H,3-6,15H2,1-2H3
InChIKeyBNQNBQRINFFKOU-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.57
Rot. Bonds4

About 1-[2-(5-fluoro-2-methoxy-4-methylphenyl)ethyl]cyclopropan-1-amine

1-[2-(5-fluoro-2-methoxy-4-methylphenyl)ethyl]cyclopropan-1-amine (PubChem CID 105480784) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 1-[2-(5-fluoro-2-methoxy-4-methylphenyl)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(5-fluoro-2-methoxy-4-methylphenyl)ethyl]cyclopropan-1-amine
PubChem CID105480784
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name1-[2-(5-fluoro-2-methoxy-4-methylphenyl)ethyl]cyclopropan-1-amine
SMILESCOc1cc(C)c(F)cc1CCC1(N)CC1
InChIInChI=1S/C13H18FNO/c1-9-7-12(16-2)10(8-11(9)14)3-4-13(15)5-6-13/h7-8H,3-6,15H2,1-2H3
InChIKeyBNQNBQRINFFKOU-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

1-[2-(5-fluoro-2,4-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105460910
1-[2-(2,4-difluoro-5-methylphenyl)ethyl]cyclopropan-1-amine
CID 105464943
2-(5-fluoro-2-methoxy-4-methylphenyl)ethanamine
CID 55254656
1-[2-(2-fluoro-4,5-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105460909
1-[2-(5-fluoro-3-methoxy-2,4-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105499390
1-[2-(4-chloro-2-methoxyphenyl)ethyl]cyclopropan-1-amine
CID 105483503
1-[2-(2,3-difluoro-5-methoxyphenyl)ethyl]cyclopropan-1-amine
CID 105484561
2-[2-(1-aminocyclopropyl)ethyl]-4,5-dimethoxyphenol
CID 105499062
2-[2-(1-aminocyclopropyl)ethyl]-4-ethyl-5-methoxyphenol
CID 105496630
1-[2-(2-ethyl-5-fluoro-3-methoxyphenyl)ethyl]cyclopropan-1-amine
CID 105499389
2-(5-fluoro-2-methoxy-4-methylphenyl)-N-methylethanamine
CID 84667680
1-[2-(4-fluoro-2-methoxy-3-methylphenyl)ethyl]cyclopropan-1-amine
CID 105480780

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-fluoro-2-methoxy-4-methylphenyl)ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(5-fluoro-2-methoxy-4-methylphenyl)ethyl]cyclopropan-1-amine (CID 105480784) is 1-[2-(5-fluoro-2-methoxy-4-methylphenyl)ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(5-fluoro-2-methoxy-4-methylphenyl)ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(5-fluoro-2-methoxy-4-methylphenyl)ethyl]cyclopropan-1-amine is COc1cc(C)c(F)cc1CCC1(N)CC1.
What is the InChIKey of 1-[2-(5-fluoro-2-methoxy-4-methylphenyl)ethyl]cyclopropan-1-amine?
The InChIKey is BNQNBQRINFFKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9-7-12(16-2)10(8-11(9)14)3-4-13(15)5-6-13/h7-8H,3-6,15H2,1-2H3.
What are the key properties of 1-[2-(5-fluoro-2-methoxy-4-methylphenyl)ethyl]cyclopropan-1-amine?
1-[2-(5-fluoro-2-methoxy-4-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-(5-fluoro-2-methoxy-4-methylphenyl)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 105480784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).