N-[(2,3-difluorophenyl)methyl]-N-ethylazetidin-3-amine

C12H16F2N2 — CID 66181429

IUPACN-[(2,3-difluorophenyl)methyl]-N-ethylazetidin-3-amine
SMILESCCN(Cc1cccc(F)c1F)C1CNC1
InChIInChI=1S/C12H16F2N2/c1-2-16(10-6-15-7-10)8-9-4-3-5-11(13)12(9)14/h3-5,10,15H,2,6-8H2,1H3
InChIKeySAKPNWPNWKYOJA-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.76
Rot. Bonds4

About N-[(2,3-difluorophenyl)methyl]-N-ethylazetidin-3-amine

N-[(2,3-difluorophenyl)methyl]-N-ethylazetidin-3-amine (PubChem CID 66181429) has the molecular formula C12H16F2N2 and a molecular weight of 226.27 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)methyl]-N-ethylazetidin-3-amine.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)methyl]-N-ethylazetidin-3-amine
PubChem CID66181429
Molecular FormulaC12H16F2N2
Molecular Weight226.27 g/mol
Exact Mass226.13
IUPAC NameN-[(2,3-difluorophenyl)methyl]-N-ethylazetidin-3-amine
SMILESCCN(Cc1cccc(F)c1F)C1CNC1
InChIInChI=1S/C12H16F2N2/c1-2-16(10-6-15-7-10)8-9-4-3-5-11(13)12(9)14/h3-5,10,15H,2,6-8H2,1H3
InChIKeySAKPNWPNWKYOJA-UHFFFAOYSA-N
XLogP1.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-[(2-ethylphenyl)methyl]azetidin-3-amine
CID 66181431
N-[[2-(difluoromethoxy)phenyl]methyl]-N-ethylazetidin-3-amine
CID 66182713
3-[[cyclopropyl(ethyl)amino]methyl]-2-fluoroaniline
CID 107347213
N-[(2,6-dichlorophenyl)methyl]-N-ethylazetidin-3-amine
CID 66182519
N-ethyl-N-[2-(2-fluorophenoxy)ethyl]azetidin-3-amine
CID 66184304
N-ethyl-N-(isoquinolin-4-ylmethyl)azetidin-3-amine
CID 113420161
N-[(2,3-difluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624705
N-[(2,6-difluorophenyl)methyl]-N-ethylpiperidin-4-amine
CID 114930841
N-[(4-bromo-3-fluorophenyl)methyl]-N-ethylazetidin-3-amine
CID 81437386
N-ethyl-N-[(5-ethylthiophen-2-yl)methyl]azetidin-3-amine
CID 66184438
N-[(2-ethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine
CID 63299763
N-[(2,5-difluorophenyl)methyl]-N-propylazetidin-3-amine
CID 66182006

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)methyl]-N-ethylazetidin-3-amine?
The IUPAC name of N-[(2,3-difluorophenyl)methyl]-N-ethylazetidin-3-amine (CID 66181429) is N-[(2,3-difluorophenyl)methyl]-N-ethylazetidin-3-amine.
What is the SMILES notation for N-[(2,3-difluorophenyl)methyl]-N-ethylazetidin-3-amine?
The canonical SMILES for N-[(2,3-difluorophenyl)methyl]-N-ethylazetidin-3-amine is CCN(Cc1cccc(F)c1F)C1CNC1.
What is the InChIKey of N-[(2,3-difluorophenyl)methyl]-N-ethylazetidin-3-amine?
The InChIKey is SAKPNWPNWKYOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2/c1-2-16(10-6-15-7-10)8-9-4-3-5-11(13)12(9)14/h3-5,10,15H,2,6-8H2,1H3.
What are the key properties of N-[(2,3-difluorophenyl)methyl]-N-ethylazetidin-3-amine?
N-[(2,3-difluorophenyl)methyl]-N-ethylazetidin-3-amine has a molecular weight of 226.27 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)methyl]-N-ethylazetidin-3-amine is sourced from PubChem (CID 66181429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).