N-[1-(3,5-difluorophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine

C16H22F2N2 — CID 106599064

IUPACN-[1-(3,5-difluorophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
SMILESCC(c1cc(F)cc(F)c1)N(CC1CCCN1)C1CC1
InChIInChI=1S/C16H22F2N2/c1-11(12-7-13(17)9-14(18)8-12)20(16-4-5-16)10-15-3-2-6-19-15/h7-9,11,15-16,19H,2-6,10H2,1H3
InChIKeyJFWLTDWTDCAHSB-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.24
Rot. Bonds5

About N-[1-(3,5-difluorophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine

N-[1-(3,5-difluorophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine (PubChem CID 106599064) has the molecular formula C16H22F2N2 and a molecular weight of 280.36 g/mol. Its IUPAC name is N-[1-(3,5-difluorophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[1-(3,5-difluorophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
PubChem CID106599064
Molecular FormulaC16H22F2N2
Molecular Weight280.36 g/mol
Exact Mass280.18
IUPAC NameN-[1-(3,5-difluorophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
SMILESCC(c1cc(F)cc(F)c1)N(CC1CCCN1)C1CC1
InChIInChI=1S/C16H22F2N2/c1-11(12-7-13(17)9-14(18)8-12)20(16-4-5-16)10-15-3-2-6-19-15/h7-9,11,15-16,19H,2-6,10H2,1H3
InChIKeyJFWLTDWTDCAHSB-UHFFFAOYSA-N
XLogP3.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(3,5-difluorophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-methylphenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106598998
N-[1-(3,4-dimethylphenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599141
N-[1-(3,5-difluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623383
N-[1-(4-nitrophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599151
2-[1-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]ethyl]-4-methylphenol
CID 106599046
3,5-difluoro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607508
N-(4-methylpentan-2-yl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599096
N-but-3-yn-2-yl-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599994
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599163
N-ethyl-1-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106622443
N-[1-(3-chlorophenyl)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106598999
N-(2,6-dimethylheptan-4-yl)-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621648

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-difluorophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-[1-(3,5-difluorophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine (CID 106599064) is N-[1-(3,5-difluorophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[1-(3,5-difluorophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[1-(3,5-difluorophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine is CC(c1cc(F)cc(F)c1)N(CC1CCCN1)C1CC1.
What is the InChIKey of N-[1-(3,5-difluorophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
The InChIKey is JFWLTDWTDCAHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2/c1-11(12-7-13(17)9-14(18)8-12)20(16-4-5-16)10-15-3-2-6-19-15/h7-9,11,15-16,19H,2-6,10H2,1H3.
What are the key properties of N-[1-(3,5-difluorophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
N-[1-(3,5-difluorophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine has a molecular weight of 280.36 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-difluorophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 106599064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).