1-[1-[3-(2-fluoro-2-methylpropyl)phenyl]cyclopropyl]ethanamine

C15H22FN — CID 117343526

IUPAC1-[1-[3-(2-fluoro-2-methylpropyl)phenyl]cyclopropyl]ethanamine
SMILESCC(N)C1(c2cccc(CC(C)(C)F)c2)CC1
InChIInChI=1S/C15H22FN/c1-11(17)15(7-8-15)13-6-4-5-12(9-13)10-14(2,3)16/h4-6,9,11H,7-8,10,17H2,1-3H3
InChIKeyLGJVAHTZEFBNPP-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.36
Rot. Bonds4

About 1-[1-[3-(2-fluoro-2-methylpropyl)phenyl]cyclopropyl]ethanamine

1-[1-[3-(2-fluoro-2-methylpropyl)phenyl]cyclopropyl]ethanamine (PubChem CID 117343526) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-[1-[3-(2-fluoro-2-methylpropyl)phenyl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-[3-(2-fluoro-2-methylpropyl)phenyl]cyclopropyl]ethanamine
PubChem CID117343526
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name1-[1-[3-(2-fluoro-2-methylpropyl)phenyl]cyclopropyl]ethanamine
SMILESCC(N)C1(c2cccc(CC(C)(C)F)c2)CC1
InChIInChI=1S/C15H22FN/c1-11(17)15(7-8-15)13-6-4-5-12(9-13)10-14(2,3)16/h4-6,9,11H,7-8,10,17H2,1-3H3
InChIKeyLGJVAHTZEFBNPP-UHFFFAOYSA-N
XLogP3.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-[3-(2-fluoro-2-methylpropyl)phenyl]cyclopropyl]methanamine
CID 117316889
1-[1-[3-(methoxymethyl)phenyl]cyclopropyl]ethanamine
CID 117293808
1-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]cyclopropyl]ethanamine
CID 117363303
1-[3-(2-fluoro-2-methylpropyl)phenyl]ethanamine
CID 84666435
1-[1-[3-(difluoromethyl)phenyl]cyclopropyl]ethanamine
CID 117301569
3-[1-(1-fluoroethyl)cyclopropyl]aniline
CID 84718251
3-[1-(1-aminoethyl)cyclopropyl]benzonitrile
CID 117280517
1-[1-(3-cyclopropyloxyphenyl)cyclopropyl]ethanamine
CID 117309977
[3-[1-(1-methoxyethyl)cyclopropyl]phenyl]methanamine
CID 115024182
3-[3-(2-fluoro-2-methylpropyl)phenyl]butan-1-amine
CID 117320874
1-[1-(3-fluoro-4-phenylmethoxyphenyl)cyclopropyl]ethanamine
CID 117459786
1-[1-(3,5-dimethylphenyl)cyclopropyl]ethanamine
CID 131471469

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(2-fluoro-2-methylpropyl)phenyl]cyclopropyl]ethanamine?
The IUPAC name of 1-[1-[3-(2-fluoro-2-methylpropyl)phenyl]cyclopropyl]ethanamine (CID 117343526) is 1-[1-[3-(2-fluoro-2-methylpropyl)phenyl]cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-[3-(2-fluoro-2-methylpropyl)phenyl]cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-[3-(2-fluoro-2-methylpropyl)phenyl]cyclopropyl]ethanamine is CC(N)C1(c2cccc(CC(C)(C)F)c2)CC1.
What is the InChIKey of 1-[1-[3-(2-fluoro-2-methylpropyl)phenyl]cyclopropyl]ethanamine?
The InChIKey is LGJVAHTZEFBNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-11(17)15(7-8-15)13-6-4-5-12(9-13)10-14(2,3)16/h4-6,9,11H,7-8,10,17H2,1-3H3.
What are the key properties of 1-[1-[3-(2-fluoro-2-methylpropyl)phenyl]cyclopropyl]ethanamine?
1-[1-[3-(2-fluoro-2-methylpropyl)phenyl]cyclopropyl]ethanamine has a molecular weight of 235.35 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(2-fluoro-2-methylpropyl)phenyl]cyclopropyl]ethanamine is sourced from PubChem (CID 117343526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).