1-[4-(difluoromethoxy)phenyl]-N-(2-methylpropyl)ethane-1,2-diamine

C13H20F2N2O — CID 65383717

IUPAC1-[4-(difluoromethoxy)phenyl]-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CNC(CN)c1ccc(OC(F)F)cc1
InChIInChI=1S/C13H20F2N2O/c1-9(2)8-17-12(7-16)10-3-5-11(6-4-10)18-13(14)15/h3-6,9,12-13,17H,7-8,16H2,1-2H3
InChIKeyXLOVIPSXDIVSDW-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.53
Rot. Bonds7

About 1-[4-(difluoromethoxy)phenyl]-N-(2-methylpropyl)ethane-1,2-diamine

1-[4-(difluoromethoxy)phenyl]-N-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 65383717) has the molecular formula C13H20F2N2O and a molecular weight of 258.31 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-N-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-N-(2-methylpropyl)ethane-1,2-diamine
PubChem CID65383717
Molecular FormulaC13H20F2N2O
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Name1-[4-(difluoromethoxy)phenyl]-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CNC(CN)c1ccc(OC(F)F)cc1
InChIInChI=1S/C13H20F2N2O/c1-9(2)8-17-12(7-16)10-3-5-11(6-4-10)18-13(14)15/h3-6,9,12-13,17H,7-8,16H2,1-2H3
InChIKeyXLOVIPSXDIVSDW-UHFFFAOYSA-N
XLogP2.53
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(difluoromethoxy)phenyl]-N,N-dimethylethane-1,2-diamine
CID 16793435
1-[4-(difluoromethoxy)phenyl]-N-piperidin-1-ylethane-1,2-diamine
CID 83011708
1-[4-(difluoromethoxy)phenyl]-N-methylpropan-1-amine
CID 43280106
N'-[1-[4-(difluoromethoxy)phenyl]ethyl]butane-1,4-diamine
CID 60895427
1-(4-ethoxyphenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102912603
N-(2,2-difluoroethyl)-1-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine
CID 115406448
3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-2-methylpropan-1-ol
CID 65031608
3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-2-hydroxypropanamide
CID 106171785
2-[4-(difluoromethyl)phenyl]-2-(2-methylpropylamino)ethanol
CID 113328529
N-[1-[4-(difluoromethoxy)phenyl]-2-ethoxyethyl]propan-1-amine
CID 105007943
N-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 65384986
N-(2-methylpropyl)-1-pyridin-3-ylethane-1,2-diamine
CID 65383709

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N-(2-methylpropyl)ethane-1,2-diamine (CID 65383717) is 1-[4-(difluoromethoxy)phenyl]-N-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-N-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-N-(2-methylpropyl)ethane-1,2-diamine is CC(C)CNC(CN)c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-N-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is XLOVIPSXDIVSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O/c1-9(2)8-17-12(7-16)10-3-5-11(6-4-10)18-13(14)15/h3-6,9,12-13,17H,7-8,16H2,1-2H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-N-(2-methylpropyl)ethane-1,2-diamine?
1-[4-(difluoromethoxy)phenyl]-N-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 258.31 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-N-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 65383717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).