N-[(4-bromo-3-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine

C13H19BrFN — CID 81436285

IUPACN-[(4-bromo-3-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine
SMILESCC(C)C(C)CNCc1ccc(Br)c(F)c1
InChIInChI=1S/C13H19BrFN/c1-9(2)10(3)7-16-8-11-4-5-12(14)13(15)6-11/h4-6,9-10,16H,7-8H2,1-3H3
InChIKeyHVCMOMRCARBXHI-UHFFFAOYSA-N
MW288.20 g/mol
LogP3.97
Rot. Bonds5

About N-[(4-bromo-3-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine

N-[(4-bromo-3-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine (PubChem CID 81436285) has the molecular formula C13H19BrFN and a molecular weight of 288.20 g/mol. Its IUPAC name is N-[(4-bromo-3-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-3-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine
PubChem CID81436285
Molecular FormulaC13H19BrFN
Molecular Weight288.20 g/mol
Exact Mass287.07
IUPAC NameN-[(4-bromo-3-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine
SMILESCC(C)C(C)CNCc1ccc(Br)c(F)c1
InChIInChI=1S/C13H19BrFN/c1-9(2)10(3)7-16-8-11-4-5-12(14)13(15)6-11/h4-6,9-10,16H,7-8H2,1-3H3
InChIKeyHVCMOMRCARBXHI-UHFFFAOYSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-N-[(4-bromo-3-fluorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 81002469
4-[(2,3-dimethylbutylamino)methyl]-2-fluorophenol
CID 107685805
(2R)-N-[(4-bromo-3-fluorophenyl)methyl]-3-methylbutan-2-amine
CID 97357883
4-[(4-bromo-3-fluorophenyl)methylamino]-3-methylbutan-1-ol
CID 81002997
1-[(4-bromo-3-fluorophenyl)methylamino]-3-ethylpentan-2-ol
CID 103773684
N-[(4-bromo-3-fluorophenyl)methyl]-2-methylpentan-3-amine
CID 81436611
N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-fluorophenyl)methanamine
CID 78981347
(2S)-N-[(3,4-dimethylphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 59084994
N-[(2-bromo-4-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64568536
N-[2-[(4-bromo-3-fluorophenyl)methylamino]ethyl]-2-methylpropanamide
CID 81002137
2,6-dibromo-4-[(2,3-dimethylbutylamino)methyl]phenol
CID 107740831
N-[(4-bromo-3-fluorophenyl)methyl]-4-methylpentan-2-amine
CID 81436383

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine?
The IUPAC name of N-[(4-bromo-3-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine (CID 81436285) is N-[(4-bromo-3-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine.
What is the SMILES notation for N-[(4-bromo-3-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine?
The canonical SMILES for N-[(4-bromo-3-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine is CC(C)C(C)CNCc1ccc(Br)c(F)c1.
What is the InChIKey of N-[(4-bromo-3-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine?
The InChIKey is HVCMOMRCARBXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFN/c1-9(2)10(3)7-16-8-11-4-5-12(14)13(15)6-11/h4-6,9-10,16H,7-8H2,1-3H3.
What are the key properties of N-[(4-bromo-3-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine?
N-[(4-bromo-3-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine has a molecular weight of 288.20 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 81436285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).