1-[[3-(1-fluoroethyl)-2-methoxyphenyl]methyl]cyclopropan-1-amine

C13H18FNO — CID 117320065

IUPAC1-[[3-(1-fluoroethyl)-2-methoxyphenyl]methyl]cyclopropan-1-amine
SMILESCOc1c(CC2(N)CC2)cccc1C(C)F
InChIInChI=1S/C13H18FNO/c1-9(14)11-5-3-4-10(12(11)16-2)8-13(15)6-7-13/h3-5,9H,6-8,15H2,1-2H3
InChIKeyDEIQUWJZWUJKHB-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.76
Rot. Bonds4

About 1-[[3-(1-fluoroethyl)-2-methoxyphenyl]methyl]cyclopropan-1-amine

1-[[3-(1-fluoroethyl)-2-methoxyphenyl]methyl]cyclopropan-1-amine (PubChem CID 117320065) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 1-[[3-(1-fluoroethyl)-2-methoxyphenyl]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[[3-(1-fluoroethyl)-2-methoxyphenyl]methyl]cyclopropan-1-amine
PubChem CID117320065
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name1-[[3-(1-fluoroethyl)-2-methoxyphenyl]methyl]cyclopropan-1-amine
SMILESCOc1c(CC2(N)CC2)cccc1C(C)F
InChIInChI=1S/C13H18FNO/c1-9(14)11-5-3-4-10(12(11)16-2)8-13(15)6-7-13/h3-5,9H,6-8,15H2,1-2H3
InChIKeyDEIQUWJZWUJKHB-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[3-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]cyclopropan-1-amine
CID 117341162
1-[[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]methyl]cyclopropan-1-amine
CID 117364434
1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropan-1-ol
CID 117300377
1-[(2,3-dimethoxy-4-methylsulfanylphenyl)methyl]cyclopropan-1-amine
CID 117386726
1-[(2-methoxy-3-phenylmethoxyphenyl)methyl]cyclopropan-1-amine
CID 117455653
2-[1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropyl]acetic acid
CID 117383717
1-[(3-bromo-4-fluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine
CID 117437511
1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropane-1-carboxylic acid
CID 117348864
1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclobutane-1-carboxylic acid
CID 117383747
2-[3-(fluoromethyl)-2-methoxyphenyl]propan-1-amine
CID 84667736
1-[(3-chloro-2-methoxy-4-methylphenyl)methyl]cyclopropan-1-amine
CID 117324499
1-[[2-(1-fluoroethyl)-6-methoxyphenyl]methyl]cyclopropan-1-ol
CID 117322144

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(1-fluoroethyl)-2-methoxyphenyl]methyl]cyclopropan-1-amine?
The IUPAC name of 1-[[3-(1-fluoroethyl)-2-methoxyphenyl]methyl]cyclopropan-1-amine (CID 117320065) is 1-[[3-(1-fluoroethyl)-2-methoxyphenyl]methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[[3-(1-fluoroethyl)-2-methoxyphenyl]methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[[3-(1-fluoroethyl)-2-methoxyphenyl]methyl]cyclopropan-1-amine is COc1c(CC2(N)CC2)cccc1C(C)F.
What is the InChIKey of 1-[[3-(1-fluoroethyl)-2-methoxyphenyl]methyl]cyclopropan-1-amine?
The InChIKey is DEIQUWJZWUJKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9(14)11-5-3-4-10(12(11)16-2)8-13(15)6-7-13/h3-5,9H,6-8,15H2,1-2H3.
What are the key properties of 1-[[3-(1-fluoroethyl)-2-methoxyphenyl]methyl]cyclopropan-1-amine?
1-[[3-(1-fluoroethyl)-2-methoxyphenyl]methyl]cyclopropan-1-amine has a molecular weight of 223.29 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(1-fluoroethyl)-2-methoxyphenyl]methyl]cyclopropan-1-amine is sourced from PubChem (CID 117320065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).