N-[(4-bromo-2-fluorophenyl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine

C12H14BrF4N — CID 55008993

IUPACN-[(4-bromo-2-fluorophenyl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCC(C)N(Cc1ccc(Br)cc1F)CC(F)(F)F
InChIInChI=1S/C12H14BrF4N/c1-8(2)18(7-12(15,16)17)6-9-3-4-10(13)5-11(9)14/h3-5,8H,6-7H2,1-2H3
InChIKeyZXQOSPSTTXJOTD-UHFFFAOYSA-N
MW328.15 g/mol
LogP4.36
Rot. Bonds4

About N-[(4-bromo-2-fluorophenyl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine

N-[(4-bromo-2-fluorophenyl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine (PubChem CID 55008993) has the molecular formula C12H14BrF4N and a molecular weight of 328.15 g/mol. Its IUPAC name is N-[(4-bromo-2-fluorophenyl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine.

Molecular Properties

Compound NameN-[(4-bromo-2-fluorophenyl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
PubChem CID55008993
Molecular FormulaC12H14BrF4N
Molecular Weight328.15 g/mol
Exact Mass327.02
IUPAC NameN-[(4-bromo-2-fluorophenyl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCC(C)N(Cc1ccc(Br)cc1F)CC(F)(F)F
InChIInChI=1S/C12H14BrF4N/c1-8(2)18(7-12(15,16)17)6-9-3-4-10(13)5-11(9)14/h3-5,8H,6-7H2,1-2H3
InChIKeyZXQOSPSTTXJOTD-UHFFFAOYSA-N
XLogP4.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.15
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 55006653
N-(2-bromoethyl)-N-[(5-bromo-2-fluorophenyl)methyl]propan-2-amine
CID 80670345
N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 107454440
2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]phenol
CID 82981726
4-chloro-3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 55006702
1-(4-bromophenyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62619620
3-[(4-bromo-2-fluorophenyl)methyl-methylamino]-N,2-dimethylpropanamide
CID 103722519
N-[(4-bromo-2-fluorophenyl)methyl]-3-methylbutan-2-amine
CID 43242831
4-methoxy-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]phenol
CID 82982576
4-[[(5-bromo-2-fluorophenyl)methyl-propan-2-ylamino]methyl]aniline
CID 43460126
3-[(5-bromo-2-fluorophenyl)methyl-propan-2-ylamino]propanenitrile
CID 54996548
1-(4-bromo-2-fluorophenyl)-N-methylmethanamine
CID 43090177

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine (CID 55008993) is N-[(4-bromo-2-fluorophenyl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine.
What is the SMILES notation for N-[(4-bromo-2-fluorophenyl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The canonical SMILES for N-[(4-bromo-2-fluorophenyl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine is CC(C)N(Cc1ccc(Br)cc1F)CC(F)(F)F.
What is the InChIKey of N-[(4-bromo-2-fluorophenyl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The InChIKey is ZXQOSPSTTXJOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF4N/c1-8(2)18(7-12(15,16)17)6-9-3-4-10(13)5-11(9)14/h3-5,8H,6-7H2,1-2H3.
What are the key properties of N-[(4-bromo-2-fluorophenyl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
N-[(4-bromo-2-fluorophenyl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine has a molecular weight of 328.15 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-fluorophenyl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine is sourced from PubChem (CID 55008993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).