1-N-[[4-(difluoromethoxy)phenyl]methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine

C15H24F2N2O — CID 43205421

IUPAC1-N-[[4-(difluoromethoxy)phenyl]methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
SMILESCC(C)C(CNCc1ccc(OC(F)F)cc1)N(C)C
InChIInChI=1S/C15H24F2N2O/c1-11(2)14(19(3)4)10-18-9-12-5-7-13(8-6-12)20-15(16)17/h5-8,11,14-15,18H,9-10H2,1-4H3
InChIKeyHWKYYVBMOLLOSX-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.96
Rot. Bonds8

About 1-N-[[4-(difluoromethoxy)phenyl]methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine

1-N-[[4-(difluoromethoxy)phenyl]methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine (PubChem CID 43205421) has the molecular formula C15H24F2N2O and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-N-[[4-(difluoromethoxy)phenyl]methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-[[4-(difluoromethoxy)phenyl]methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
PubChem CID43205421
Molecular FormulaC15H24F2N2O
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name1-N-[[4-(difluoromethoxy)phenyl]methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
SMILESCC(C)C(CNCc1ccc(OC(F)F)cc1)N(C)C
InChIInChI=1S/C15H24F2N2O/c1-11(2)14(19(3)4)10-18-9-12-5-7-13(8-6-12)20-15(16)17/h5-8,11,14-15,18H,9-10H2,1-4H3
InChIKeyHWKYYVBMOLLOSX-UHFFFAOYSA-N
XLogP2.96
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[(4-fluorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43205416
2-N,2-N,3-trimethyl-1-N-[(4-methylphenyl)methyl]butane-1,2-diamine
CID 18804091
4-[[[2-(dimethylamino)-3-methylbutyl]amino]methyl]phenol
CID 43205412
N-[[4-(difluoromethoxy)phenyl]methyl]-2,2-diethoxyethanamine
CID 78910455
1-N-[(4-bromo-3-fluorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 81002469
1-N-[(3-chloro-4-fluorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 81144020
1-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 78912474
2-N,2-N,3-trimethyl-1-N-[(3,4,5-trifluorophenyl)methyl]butane-1,2-diamine
CID 63051526
N-[[4-(difluoromethoxy)phenyl]methyl]-2-methylprop-2-en-1-amine
CID 115574779
1-N-[(3-methoxyphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43205422
1-[4-(difluoromethoxy)phenyl]-N-[(2,5-difluorophenyl)methyl]methanamine
CID 43312744
N-[[4-(difluoromethoxy)phenyl]methyl]-3-methylsulfanylbutan-1-amine
CID 115604390

Frequently Asked Questions

What is the IUPAC name of 1-N-[[4-(difluoromethoxy)phenyl]methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine?
The IUPAC name of 1-N-[[4-(difluoromethoxy)phenyl]methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine (CID 43205421) is 1-N-[[4-(difluoromethoxy)phenyl]methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine.
What is the SMILES notation for 1-N-[[4-(difluoromethoxy)phenyl]methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine?
The canonical SMILES for 1-N-[[4-(difluoromethoxy)phenyl]methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine is CC(C)C(CNCc1ccc(OC(F)F)cc1)N(C)C.
What is the InChIKey of 1-N-[[4-(difluoromethoxy)phenyl]methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine?
The InChIKey is HWKYYVBMOLLOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N2O/c1-11(2)14(19(3)4)10-18-9-12-5-7-13(8-6-12)20-15(16)17/h5-8,11,14-15,18H,9-10H2,1-4H3.
What are the key properties of 1-N-[[4-(difluoromethoxy)phenyl]methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine?
1-N-[[4-(difluoromethoxy)phenyl]methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine has a molecular weight of 286.37 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[[4-(difluoromethoxy)phenyl]methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine is sourced from PubChem (CID 43205421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).