N-[(3-bromo-5-fluorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine

C12H17BrFNO — CID 104760534

IUPACN-[(3-bromo-5-fluorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine
SMILESCOC(C)(C)CNCc1cc(F)cc(Br)c1
InChIInChI=1S/C12H17BrFNO/c1-12(2,16-3)8-15-7-9-4-10(13)6-11(14)5-9/h4-6,15H,7-8H2,1-3H3
InChIKeyIRFPVKVEDWFICB-UHFFFAOYSA-N
MW290.18 g/mol
LogP3.10
Rot. Bonds5

About N-[(3-bromo-5-fluorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine

N-[(3-bromo-5-fluorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine (PubChem CID 104760534) has the molecular formula C12H17BrFNO and a molecular weight of 290.18 g/mol. Its IUPAC name is N-[(3-bromo-5-fluorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-bromo-5-fluorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine
PubChem CID104760534
Molecular FormulaC12H17BrFNO
Molecular Weight290.18 g/mol
Exact Mass289.05
IUPAC NameN-[(3-bromo-5-fluorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine
SMILESCOC(C)(C)CNCc1cc(F)cc(Br)c1
InChIInChI=1S/C12H17BrFNO/c1-12(2,16-3)8-15-7-9-4-10(13)6-11(14)5-9/h4-6,15H,7-8H2,1-3H3
InChIKeyIRFPVKVEDWFICB-UHFFFAOYSA-N
XLogP3.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-[(3-bromo-5-fluorophenyl)methylamino]-2,2-dimethylpropanoate
CID 114283744
1-[(3-bromo-5-fluorophenyl)methylamino]-4-methoxy-2-methylbutan-2-ol
CID 114164721
N-[(3-bromo-5-fluorophenyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 79710055
N-[(4-bromo-3-fluorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 115702697
1-(3-bromo-5-fluorophenyl)-4-methoxy-N,4-dimethylpentan-2-amine
CID 103028593
N-[(3-bromo-5-fluorophenyl)methyl]propan-1-amine
CID 43248382
N-[(3-bromo-5-fluorophenyl)methyl]-4-methoxybutan-1-amine
CID 79710180
N-[(3-bromo-5-fluorophenyl)methyl]-1-(3,4-dimethoxyphenyl)methanamine
CID 112731993
2-bromo-N-[(3-bromo-5-fluorophenyl)methyl]ethanamine
CID 114505284
1-(3-bromo-5-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 103028595
N-[(3-bromo-5-fluorophenyl)methyl]-2-methylprop-2-en-1-amine
CID 114616722
N-[(3-bromo-5-fluorophenyl)methyl]-3-chloro-4-methoxybutan-1-amine
CID 106242697

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine?
The IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine (CID 104760534) is N-[(3-bromo-5-fluorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine.
What is the SMILES notation for N-[(3-bromo-5-fluorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine?
The canonical SMILES for N-[(3-bromo-5-fluorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine is COC(C)(C)CNCc1cc(F)cc(Br)c1.
What is the InChIKey of N-[(3-bromo-5-fluorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine?
The InChIKey is IRFPVKVEDWFICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFNO/c1-12(2,16-3)8-15-7-9-4-10(13)6-11(14)5-9/h4-6,15H,7-8H2,1-3H3.
What are the key properties of N-[(3-bromo-5-fluorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine?
N-[(3-bromo-5-fluorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine has a molecular weight of 290.18 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-fluorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine is sourced from PubChem (CID 104760534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).