N-[2-fluoro-2-(2-phenylcyclopropyl)ethyl]-2-methylpropan-2-amine

C15H22FN — CID 107446778

IUPACN-[2-fluoro-2-(2-phenylcyclopropyl)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(F)C1CC1c1ccccc1
InChIInChI=1S/C15H22FN/c1-15(2,3)17-10-14(16)13-9-12(13)11-7-5-4-6-8-11/h4-8,12-14,17H,9-10H2,1-3H3
InChIKeyAFWOKFQFUBOTRT-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.52
Rot. Bonds4

About N-[2-fluoro-2-(2-phenylcyclopropyl)ethyl]-2-methylpropan-2-amine

N-[2-fluoro-2-(2-phenylcyclopropyl)ethyl]-2-methylpropan-2-amine (PubChem CID 107446778) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is N-[2-fluoro-2-(2-phenylcyclopropyl)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-fluoro-2-(2-phenylcyclopropyl)ethyl]-2-methylpropan-2-amine
PubChem CID107446778
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC NameN-[2-fluoro-2-(2-phenylcyclopropyl)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(F)C1CC1c1ccccc1
InChIInChI=1S/C15H22FN/c1-15(2,3)17-10-14(16)13-9-12(13)11-7-5-4-6-8-11/h4-8,12-14,17H,9-10H2,1-3H3
InChIKeyAFWOKFQFUBOTRT-UHFFFAOYSA-N
XLogP3.52
TPSA12.03 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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-2-methyl-3-(2-phenylcyclopropyl)butan-1-amine
CID 116518632
[2-methyl-2-phenyl-1-(2-phenylcyclopropyl)propyl]hydrazine
CID 105216496
N-ethyl-3,3,3-trifluoro-1-(2-phenylcyclopropyl)propan-1-amine
CID 116517402
3-methoxy-N,3-dimethyl-1-(2-phenylcyclopropyl)butan-1-amine
CID 103029487
1-(2-phenylcyclopropyl)propan-1-amine
CID 116517334
[(1S,2R)-2-butan-2-ylcyclopropyl]benzene
CID 100977404
N-ethyl-4,4,4-trifluoro-1-(2-phenylcyclopropyl)butan-1-amine
CID 116517759
[2-(4-chloropentan-2-yl)cyclopropyl]benzene
CID 116518369
1-(2-phenylcyclopropyl)-2-(propan-2-ylamino)ethanol
CID 116518402
2-cyclopropyl-N-methyl-1-(2-phenylcyclopropyl)ethanamine
CID 116517798
1-[(1R,2S)-2-phenylcyclopropyl]ethanamine
CID 57373127
N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(2-phenylcyclopropyl)ethanamine
CID 105188962

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-2-(2-phenylcyclopropyl)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-fluoro-2-(2-phenylcyclopropyl)ethyl]-2-methylpropan-2-amine (CID 107446778) is N-[2-fluoro-2-(2-phenylcyclopropyl)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-fluoro-2-(2-phenylcyclopropyl)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-fluoro-2-(2-phenylcyclopropyl)ethyl]-2-methylpropan-2-amine is CC(C)(C)NCC(F)C1CC1c1ccccc1.
What is the InChIKey of N-[2-fluoro-2-(2-phenylcyclopropyl)ethyl]-2-methylpropan-2-amine?
The InChIKey is AFWOKFQFUBOTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-15(2,3)17-10-14(16)13-9-12(13)11-7-5-4-6-8-11/h4-8,12-14,17H,9-10H2,1-3H3.
What are the key properties of N-[2-fluoro-2-(2-phenylcyclopropyl)ethyl]-2-methylpropan-2-amine?
N-[2-fluoro-2-(2-phenylcyclopropyl)ethyl]-2-methylpropan-2-amine has a molecular weight of 235.35 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-2-(2-phenylcyclopropyl)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107446778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).