N-[[3-bromo-4-[[2,2-difluoroethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine

C15H23BrF2N2 — CID 102771957

IUPACN-[[3-bromo-4-[[2,2-difluoroethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(CN(C)CC(F)F)c(Br)c1
InChIInChI=1S/C15H23BrF2N2/c1-11(2)7-19-8-12-4-5-13(14(16)6-12)9-20(3)10-15(17)18/h4-6,11,15,19H,7-10H2,1-3H3
InChIKeyXSLKOYNDKRSWEA-UHFFFAOYSA-N
MW349.26 g/mol
LogP3.89
Rot. Bonds8

About N-[[3-bromo-4-[[2,2-difluoroethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine

N-[[3-bromo-4-[[2,2-difluoroethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 102771957) has the molecular formula C15H23BrF2N2 and a molecular weight of 349.26 g/mol. Its IUPAC name is N-[[3-bromo-4-[[2,2-difluoroethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-bromo-4-[[2,2-difluoroethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
PubChem CID102771957
Molecular FormulaC15H23BrF2N2
Molecular Weight349.26 g/mol
Exact Mass348.10
IUPAC NameN-[[3-bromo-4-[[2,2-difluoroethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(CN(C)CC(F)F)c(Br)c1
InChIInChI=1S/C15H23BrF2N2/c1-11(2)7-19-8-12-4-5-13(14(16)6-12)9-20(3)10-15(17)18/h4-6,11,15,19H,7-10H2,1-3H3
InChIKeyXSLKOYNDKRSWEA-UHFFFAOYSA-N
XLogP3.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.26
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-bromo-4-[[2,2-difluoroethyl(methyl)amino]methyl]phenyl]methyl]propan-2-amine
CID 102771953
N-[[3-bromo-4-[[2,2-difluoroethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 102771946
N-[[3-bromo-4-[[cyclobutylmethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 102770757
N-[[3-bromo-4-[[propan-2-yl(propyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 102769543
N-[[2-bromo-4-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methyloxolan-3-amine
CID 102771788
N-[[3-bromo-4-(3,3,3-trifluoropropoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 102774007
N-[[3-bromo-4-(1-methoxypropan-2-yloxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 102773637
N-[[2-bromo-4-(ethylaminomethyl)phenyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 102769521
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 103880565
N-[(4-bromo-3-methylphenyl)methyl]-2-methylpropan-1-amine
CID 66472971
N-[[3-bromo-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 102769916
N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 102770674

Frequently Asked Questions

What is the IUPAC name of N-[[3-bromo-4-[[2,2-difluoroethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-bromo-4-[[2,2-difluoroethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine (CID 102771957) is N-[[3-bromo-4-[[2,2-difluoroethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-bromo-4-[[2,2-difluoroethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-bromo-4-[[2,2-difluoroethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ccc(CN(C)CC(F)F)c(Br)c1.
What is the InChIKey of N-[[3-bromo-4-[[2,2-difluoroethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is XSLKOYNDKRSWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrF2N2/c1-11(2)7-19-8-12-4-5-13(14(16)6-12)9-20(3)10-15(17)18/h4-6,11,15,19H,7-10H2,1-3H3.
What are the key properties of N-[[3-bromo-4-[[2,2-difluoroethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine?
N-[[3-bromo-4-[[2,2-difluoroethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 349.26 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-bromo-4-[[2,2-difluoroethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 102771957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).