N-[1-[2-(difluoromethoxy)phenyl]ethyl]-N-propylazetidin-3-amine

C15H22F2N2O — CID 66183932

IUPACN-[1-[2-(difluoromethoxy)phenyl]ethyl]-N-propylazetidin-3-amine
SMILESCCCN(C1CNC1)C(C)c1ccccc1OC(F)F
InChIInChI=1S/C15H22F2N2O/c1-3-8-19(12-9-18-10-12)11(2)13-6-4-5-7-14(13)20-15(16)17/h4-7,11-12,15,18H,3,8-10H2,1-2H3
InChIKeyJVGKSOLOJRKDJD-UHFFFAOYSA-N
MW284.35 g/mol
LogP3.03
Rot. Bonds7

About N-[1-[2-(difluoromethoxy)phenyl]ethyl]-N-propylazetidin-3-amine

N-[1-[2-(difluoromethoxy)phenyl]ethyl]-N-propylazetidin-3-amine (PubChem CID 66183932) has the molecular formula C15H22F2N2O and a molecular weight of 284.35 g/mol. Its IUPAC name is N-[1-[2-(difluoromethoxy)phenyl]ethyl]-N-propylazetidin-3-amine.

Molecular Properties

Compound NameN-[1-[2-(difluoromethoxy)phenyl]ethyl]-N-propylazetidin-3-amine
PubChem CID66183932
Molecular FormulaC15H22F2N2O
Molecular Weight284.35 g/mol
Exact Mass284.17
IUPAC NameN-[1-[2-(difluoromethoxy)phenyl]ethyl]-N-propylazetidin-3-amine
SMILESCCCN(C1CNC1)C(C)c1ccccc1OC(F)F
InChIInChI=1S/C15H22F2N2O/c1-3-8-19(12-9-18-10-12)11(2)13-6-4-5-7-14(13)20-15(16)17/h4-7,11-12,15,18H,3,8-10H2,1-2H3
InChIKeyJVGKSOLOJRKDJD-UHFFFAOYSA-N
XLogP3.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 63300912
N-[[2-(difluoromethoxy)phenyl]methyl]-N-ethylazetidin-3-amine
CID 66182713
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-N-propylpyrrolidin-3-amine
CID 63300746
N-[[2-(difluoromethoxy)phenyl]methyl]-N-propylpyrrolidin-3-amine
CID 63300997
N-[1-(2-bromophenyl)ethyl]-N-propylpiperidin-3-amine
CID 63637762
1-[2-(difluoromethoxy)phenyl]-N',N'-dipropylethane-1,2-diamine
CID 16794692
N-propyl-N-[1-(4-propylphenyl)ethyl]azetidin-3-amine
CID 66183935
(1S)-1-[2-(difluoromethoxy)phenyl]-2-methylbutan-1-amine;hydrochloride
CID 171230995
N-[1-(2,4-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 63300614
1-[2-(difluoromethoxy)phenyl]-N-ethyl-N-propylethane-1,2-diamine
CID 43268646
N-[1-(2-methoxy-5-methylphenyl)ethyl]-N-propylpiperidin-3-amine
CID 63636897
3-[cyclopropyl-[1-(2-ethoxyphenyl)ethyl]amino]propanoic acid
CID 65059340

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]ethyl]-N-propylazetidin-3-amine?
The IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]ethyl]-N-propylazetidin-3-amine (CID 66183932) is N-[1-[2-(difluoromethoxy)phenyl]ethyl]-N-propylazetidin-3-amine.
What is the SMILES notation for N-[1-[2-(difluoromethoxy)phenyl]ethyl]-N-propylazetidin-3-amine?
The canonical SMILES for N-[1-[2-(difluoromethoxy)phenyl]ethyl]-N-propylazetidin-3-amine is CCCN(C1CNC1)C(C)c1ccccc1OC(F)F.
What is the InChIKey of N-[1-[2-(difluoromethoxy)phenyl]ethyl]-N-propylazetidin-3-amine?
The InChIKey is JVGKSOLOJRKDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O/c1-3-8-19(12-9-18-10-12)11(2)13-6-4-5-7-14(13)20-15(16)17/h4-7,11-12,15,18H,3,8-10H2,1-2H3.
What are the key properties of N-[1-[2-(difluoromethoxy)phenyl]ethyl]-N-propylazetidin-3-amine?
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-N-propylazetidin-3-amine has a molecular weight of 284.35 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(difluoromethoxy)phenyl]ethyl]-N-propylazetidin-3-amine is sourced from PubChem (CID 66183932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).