N-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-N-methylazetidin-3-amine

C15H22F2N2O — CID 66185897

IUPACN-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-N-methylazetidin-3-amine
SMILESCC(CCc1ccc(OC(F)F)cc1)N(C)C1CNC1
InChIInChI=1S/C15H22F2N2O/c1-11(19(2)13-9-18-10-13)3-4-12-5-7-14(8-6-12)20-15(16)17/h5-8,11,13,15,18H,3-4,9-10H2,1-2H3
InChIKeyRRSSHKDHTUHYTF-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.51
Rot. Bonds7

About N-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-N-methylazetidin-3-amine

N-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-N-methylazetidin-3-amine (PubChem CID 66185897) has the molecular formula C15H22F2N2O and a molecular weight of 284.35 g/mol. Its IUPAC name is N-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-N-methylazetidin-3-amine.

Molecular Properties

Compound NameN-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-N-methylazetidin-3-amine
PubChem CID66185897
Molecular FormulaC15H22F2N2O
Molecular Weight284.35 g/mol
Exact Mass284.17
IUPAC NameN-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-N-methylazetidin-3-amine
SMILESCC(CCc1ccc(OC(F)F)cc1)N(C)C1CNC1
InChIInChI=1S/C15H22F2N2O/c1-11(19(2)13-9-18-10-13)3-4-12-5-7-14(8-6-12)20-15(16)17/h5-8,11,13,15,18H,3-4,9-10H2,1-2H3
InChIKeyRRSSHKDHTUHYTF-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-N'-methylethane-1,2-diamine
CID 62682370
N'-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-N'-methylpropane-1,3-diamine
CID 115318689
3-[4-(difluoromethoxy)phenyl]-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119553266
1-(difluoromethoxy)-4-[2-(4-ethoxyphenyl)ethyl]benzene
CID 19436101
1-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]azetidin-3-amine
CID 65244673
3-[4-(difluoromethoxy)phenyl]-N-piperidin-4-yl-N-propylpropanamide
CID 119825341
N-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]cyclopent-3-en-1-amine
CID 115728460
4-[2-[azetidin-3-yl(methyl)amino]propyl]phenol
CID 115496116
4-[3-[azetidin-3-yl(ethyl)amino]butyl]phenol
CID 66183584
(2S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide
CID 94018114
N-(1-aminopropan-2-yl)-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide
CID 119584021
1-(difluoromethoxy)-4-[2-(4-methoxyphenyl)ethyl]benzene
CID 19436013

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-N-methylazetidin-3-amine?
The IUPAC name of N-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-N-methylazetidin-3-amine (CID 66185897) is N-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-N-methylazetidin-3-amine.
What is the SMILES notation for N-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-N-methylazetidin-3-amine?
The canonical SMILES for N-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-N-methylazetidin-3-amine is CC(CCc1ccc(OC(F)F)cc1)N(C)C1CNC1.
What is the InChIKey of N-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-N-methylazetidin-3-amine?
The InChIKey is RRSSHKDHTUHYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O/c1-11(19(2)13-9-18-10-13)3-4-12-5-7-14(8-6-12)20-15(16)17/h5-8,11,13,15,18H,3-4,9-10H2,1-2H3.
What are the key properties of N-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-N-methylazetidin-3-amine?
N-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-N-methylazetidin-3-amine has a molecular weight of 284.35 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-N-methylazetidin-3-amine is sourced from PubChem (CID 66185897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).