N'-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-N'-methylpropane-1,3-diamine

C15H24F2N2O — CID 115318689

IUPACN'-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-N'-methylpropane-1,3-diamine
SMILESCC(CCc1ccc(OC(F)F)cc1)N(C)CCCN
InChIInChI=1S/C15H24F2N2O/c1-12(19(2)11-3-10-18)4-5-13-6-8-14(9-7-13)20-15(16)17/h6-9,12,15H,3-5,10-11,18H2,1-2H3
InChIKeyQXAXNCCXASJBMK-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.89
Rot. Bonds9

About N'-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-N'-methylpropane-1,3-diamine

N'-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-N'-methylpropane-1,3-diamine (PubChem CID 115318689) has the molecular formula C15H24F2N2O and a molecular weight of 286.37 g/mol. Its IUPAC name is N'-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-N'-methylpropane-1,3-diamine
PubChem CID115318689
Molecular FormulaC15H24F2N2O
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC NameN'-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-N'-methylpropane-1,3-diamine
SMILESCC(CCc1ccc(OC(F)F)cc1)N(C)CCCN
InChIInChI=1S/C15H24F2N2O/c1-12(19(2)11-3-10-18)4-5-13-6-8-14(9-7-13)20-15(16)17/h6-9,12,15H,3-5,10-11,18H2,1-2H3
InChIKeyQXAXNCCXASJBMK-UHFFFAOYSA-N
XLogP2.89
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.89
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
3-[4-(difluoromethoxy)phenyl]propan-1-amine
CID 53275741
N'-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]propane-1,3-diamine
CID 60889875
5-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpentanamide
CID 104684782
N-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-N-methylazetidin-3-amine
CID 66185897
N-(5-aminopentyl)-4-(difluoromethoxy)-N-methylbenzamide
CID 107206523
N-(1-aminopropan-2-yl)-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide
CID 119584021
N-(3-amino-4-methylpentyl)-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide
CID 119660115
4-[4-(difluoromethoxy)phenyl]-2-N,2-dimethyl-2-N-propan-2-ylbutane-1,2-diamine
CID 43185277
1-(difluoromethoxy)-4-[2-(4-ethoxyphenyl)ethyl]benzene
CID 19436101
1-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]azetidin-3-amine
CID 65244673
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'-methylpropane-1,3-diamine?
The IUPAC name of N'-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-N'-methylpropane-1,3-diamine (CID 115318689) is N'-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-N'-methylpropane-1,3-diamine is CC(CCc1ccc(OC(F)F)cc1)N(C)CCCN.
What is the InChIKey of N'-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-N'-methylpropane-1,3-diamine?
The InChIKey is QXAXNCCXASJBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N2O/c1-12(19(2)11-3-10-18)4-5-13-6-8-14(9-7-13)20-15(16)17/h6-9,12,15H,3-5,10-11,18H2,1-2H3.
What are the key properties of N'-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-N'-methylpropane-1,3-diamine?
N'-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-N'-methylpropane-1,3-diamine has a molecular weight of 286.37 g/mol, XLogP of 2.89, 9 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'-methylpropane-1,3-diamine is sourced from PubChem (CID 115318689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).