N-(2,2-difluoro-2-phenylethyl)-2,2,3,3-tetramethylcyclopropan-1-amine

C15H21F2N — CID 116789179

IUPACN-(2,2-difluoro-2-phenylethyl)-2,2,3,3-tetramethylcyclopropan-1-amine
SMILESCC1(C)C(NCC(F)(F)c2ccccc2)C1(C)C
InChIInChI=1S/C15H21F2N/c1-13(2)12(14(13,3)4)18-10-15(16,17)11-8-6-5-7-9-11/h5-9,12,18H,10H2,1-4H3
InChIKeyBUVPZCFRHLKJEW-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.80
Rot. Bonds4

About N-(2,2-difluoro-2-phenylethyl)-2,2,3,3-tetramethylcyclopropan-1-amine

N-(2,2-difluoro-2-phenylethyl)-2,2,3,3-tetramethylcyclopropan-1-amine (PubChem CID 116789179) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is N-(2,2-difluoro-2-phenylethyl)-2,2,3,3-tetramethylcyclopropan-1-amine.

Molecular Properties

Compound NameN-(2,2-difluoro-2-phenylethyl)-2,2,3,3-tetramethylcyclopropan-1-amine
PubChem CID116789179
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC NameN-(2,2-difluoro-2-phenylethyl)-2,2,3,3-tetramethylcyclopropan-1-amine
SMILESCC1(C)C(NCC(F)(F)c2ccccc2)C1(C)C
InChIInChI=1S/C15H21F2N/c1-13(2)12(14(13,3)4)18-10-15(16,17)11-8-6-5-7-9-11/h5-9,12,18H,10H2,1-4H3
InChIKeyBUVPZCFRHLKJEW-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(+)-Methamphetamine hydrochloride
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N-Ethylamphetamine
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Levofenfluramine
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Propylamphetamine
CID 103544

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-2-phenylethyl)-2,2,3,3-tetramethylcyclopropan-1-amine?
The IUPAC name of N-(2,2-difluoro-2-phenylethyl)-2,2,3,3-tetramethylcyclopropan-1-amine (CID 116789179) is N-(2,2-difluoro-2-phenylethyl)-2,2,3,3-tetramethylcyclopropan-1-amine.
What is the SMILES notation for N-(2,2-difluoro-2-phenylethyl)-2,2,3,3-tetramethylcyclopropan-1-amine?
The canonical SMILES for N-(2,2-difluoro-2-phenylethyl)-2,2,3,3-tetramethylcyclopropan-1-amine is CC1(C)C(NCC(F)(F)c2ccccc2)C1(C)C.
What is the InChIKey of N-(2,2-difluoro-2-phenylethyl)-2,2,3,3-tetramethylcyclopropan-1-amine?
The InChIKey is BUVPZCFRHLKJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-13(2)12(14(13,3)4)18-10-15(16,17)11-8-6-5-7-9-11/h5-9,12,18H,10H2,1-4H3.
What are the key properties of N-(2,2-difluoro-2-phenylethyl)-2,2,3,3-tetramethylcyclopropan-1-amine?
N-(2,2-difluoro-2-phenylethyl)-2,2,3,3-tetramethylcyclopropan-1-amine has a molecular weight of 253.34 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-2-phenylethyl)-2,2,3,3-tetramethylcyclopropan-1-amine is sourced from PubChem (CID 116789179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).