N-(2,2-difluoro-2-phenylethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine

C16H22F2N2 — CID 106599905

IUPACN-(2,2-difluoro-2-phenylethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
SMILESFC(F)(CN(CC1CCCN1)C1CC1)c1ccccc1
InChIInChI=1S/C16H22F2N2/c17-16(18,13-5-2-1-3-6-13)12-20(15-8-9-15)11-14-7-4-10-19-14/h1-3,5-6,14-15,19H,4,7-12H2
InChIKeyKYYBYDXHVMONDZ-UHFFFAOYSA-N
MW280.36 g/mol
LogP2.99
Rot. Bonds6

About N-(2,2-difluoro-2-phenylethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine

N-(2,2-difluoro-2-phenylethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine (PubChem CID 106599905) has the molecular formula C16H22F2N2 and a molecular weight of 280.36 g/mol. Its IUPAC name is N-(2,2-difluoro-2-phenylethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2,2-difluoro-2-phenylethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
PubChem CID106599905
Molecular FormulaC16H22F2N2
Molecular Weight280.36 g/mol
Exact Mass280.18
IUPAC NameN-(2,2-difluoro-2-phenylethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
SMILESFC(F)(CN(CC1CCCN1)C1CC1)c1ccccc1
InChIInChI=1S/C16H22F2N2/c17-16(18,13-5-2-1-3-6-13)12-20(15-8-9-15)11-14-7-4-10-19-14/h1-3,5-6,14-15,19H,4,7-12H2
InChIKeyKYYBYDXHVMONDZ-UHFFFAOYSA-N
XLogP2.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-difluoro-2-phenylethyl)-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106632139
1,1-diphenyl-2-[(2R)-pyrrolidin-2-yl]ethanol
CID 89497125
N-phenyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 69019447
N-(2-fluoroethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599783
N-(furan-2-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]cyclopropanamine
CID 102819455
N-[(2-chloro-3-fluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599665
N-[(2,5-difluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104973976
N-(isoquinolin-4-ylmethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104973999
N-[(3-fluorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621509
N-[3-(4-fluorophenoxy)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 103519918
N-[(5-fluoro-2-methylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599700
N-benzyl-2,2,2-trifluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide
CID 89362918

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-2-phenylethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-(2,2-difluoro-2-phenylethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine (CID 106599905) is N-(2,2-difluoro-2-phenylethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-(2,2-difluoro-2-phenylethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-(2,2-difluoro-2-phenylethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine is FC(F)(CN(CC1CCCN1)C1CC1)c1ccccc1.
What is the InChIKey of N-(2,2-difluoro-2-phenylethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
The InChIKey is KYYBYDXHVMONDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2/c17-16(18,13-5-2-1-3-6-13)12-20(15-8-9-15)11-14-7-4-10-19-14/h1-3,5-6,14-15,19H,4,7-12H2.
What are the key properties of N-(2,2-difluoro-2-phenylethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
N-(2,2-difluoro-2-phenylethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine has a molecular weight of 280.36 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-2-phenylethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 106599905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).