1-[1-(3-fluoro-4-phenylmethoxyphenyl)cyclopropyl]ethanamine

C18H20FNO — CID 117459786

IUPAC1-[1-(3-fluoro-4-phenylmethoxyphenyl)cyclopropyl]ethanamine
SMILESCC(N)C1(c2ccc(OCc3ccccc3)c(F)c2)CC1
InChIInChI=1S/C18H20FNO/c1-13(20)18(9-10-18)15-7-8-17(16(19)11-15)21-12-14-5-3-2-4-6-14/h2-8,11,13H,9-10,12,20H2,1H3
InChIKeyVHWRDVUETHZWLF-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.78
Rot. Bonds5

About 1-[1-(3-fluoro-4-phenylmethoxyphenyl)cyclopropyl]ethanamine

1-[1-(3-fluoro-4-phenylmethoxyphenyl)cyclopropyl]ethanamine (PubChem CID 117459786) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 1-[1-(3-fluoro-4-phenylmethoxyphenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(3-fluoro-4-phenylmethoxyphenyl)cyclopropyl]ethanamine
PubChem CID117459786
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name1-[1-(3-fluoro-4-phenylmethoxyphenyl)cyclopropyl]ethanamine
SMILESCC(N)C1(c2ccc(OCc3ccccc3)c(F)c2)CC1
InChIInChI=1S/C18H20FNO/c1-13(20)18(9-10-18)15-7-8-17(16(19)11-15)21-12-14-5-3-2-4-6-14/h2-8,11,13H,9-10,12,20H2,1H3
InChIKeyVHWRDVUETHZWLF-UHFFFAOYSA-N
XLogP3.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-difluoro-1-(3-fluoro-4-phenylmethoxyphenyl)cyclohexan-1-amine
CID 146572380
1-(3-fluoro-4-phenylmethoxyphenyl)propan-2-amine
CID 23037612
[1-(3-fluoro-4-phenylmethoxyphenyl)cyclohexyl]methanamine
CID 117498798
1-(3-fluoro-4-phenylmethoxyphenyl)butan-2-amine
CID 107693258
1-(3-fluoro-4-phenylmethoxyphenyl)ethanol
CID 115582207
1-[1-(3-fluoro-4-iodophenyl)cyclopropyl]ethanamine
CID 117046693
1-[1-(4-chloro-3-fluorophenyl)cyclopropyl]ethanamine
CID 83689421
4-[1-(1-aminoethyl)cyclopropyl]-2-fluorophenol
CID 117285258
3-(3-fluoro-4-phenylmethoxyphenyl)-2-methylpropanoic acid
CID 70863911
1-[1-[3-(methoxymethyl)phenyl]cyclopropyl]ethanamine
CID 117293808
(1R)-1-(3-fluoro-4-phenylmethoxyphenyl)-N-methylethanamine
CID 93009968
1-[1-(3-fluoro-4-pentan-3-ylphenyl)cyclopropyl]ethanamine
CID 117377665

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluoro-4-phenylmethoxyphenyl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(3-fluoro-4-phenylmethoxyphenyl)cyclopropyl]ethanamine (CID 117459786) is 1-[1-(3-fluoro-4-phenylmethoxyphenyl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(3-fluoro-4-phenylmethoxyphenyl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(3-fluoro-4-phenylmethoxyphenyl)cyclopropyl]ethanamine is CC(N)C1(c2ccc(OCc3ccccc3)c(F)c2)CC1.
What is the InChIKey of 1-[1-(3-fluoro-4-phenylmethoxyphenyl)cyclopropyl]ethanamine?
The InChIKey is VHWRDVUETHZWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-13(20)18(9-10-18)15-7-8-17(16(19)11-15)21-12-14-5-3-2-4-6-14/h2-8,11,13H,9-10,12,20H2,1H3.
What are the key properties of 1-[1-(3-fluoro-4-phenylmethoxyphenyl)cyclopropyl]ethanamine?
1-[1-(3-fluoro-4-phenylmethoxyphenyl)cyclopropyl]ethanamine has a molecular weight of 285.36 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluoro-4-phenylmethoxyphenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 117459786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).