1-(5-bromo-2-fluorophenyl)-5-methoxy-N,4-dimethylpentan-2-amine

C14H21BrFNO — CID 105132287

IUPAC1-(5-bromo-2-fluorophenyl)-5-methoxy-N,4-dimethylpentan-2-amine
SMILESCNC(Cc1cc(Br)ccc1F)CC(C)COC
InChIInChI=1S/C14H21BrFNO/c1-10(9-18-3)6-13(17-2)8-11-7-12(15)4-5-14(11)16/h4-5,7,10,13,17H,6,8-9H2,1-3H3
InChIKeyMTICIMNFPHVTRA-UHFFFAOYSA-N
MW318.23 g/mol
LogP3.39
Rot. Bonds7

About 1-(5-bromo-2-fluorophenyl)-5-methoxy-N,4-dimethylpentan-2-amine

1-(5-bromo-2-fluorophenyl)-5-methoxy-N,4-dimethylpentan-2-amine (PubChem CID 105132287) has the molecular formula C14H21BrFNO and a molecular weight of 318.23 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-5-methoxy-N,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-5-methoxy-N,4-dimethylpentan-2-amine
PubChem CID105132287
Molecular FormulaC14H21BrFNO
Molecular Weight318.23 g/mol
Exact Mass317.08
IUPAC Name1-(5-bromo-2-fluorophenyl)-5-methoxy-N,4-dimethylpentan-2-amine
SMILESCNC(Cc1cc(Br)ccc1F)CC(C)COC
InChIInChI=1S/C14H21BrFNO/c1-10(9-18-3)6-13(17-2)8-11-7-12(15)4-5-14(11)16/h4-5,7,10,13,17H,6,8-9H2,1-3H3
InChIKeyMTICIMNFPHVTRA-UHFFFAOYSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.23
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-bromo-2-fluorophenyl)-5-methoxy-N,4-dimethylpentan-2-amine with MolForge

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Related Compounds

1-(5-bromo-2-fluorophenyl)-N,4-dimethylhexan-2-amine
CID 115839350
1-(5-bromo-2-fluorophenyl)-N-methyl-3-propylsulfanylpropan-2-amine
CID 65128799
1-(5-bromo-2-fluorophenyl)-3-(1-methoxycyclobutyl)-N-methylpropan-2-amine
CID 103559180
1-(5-bromo-2-fluorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine
CID 113229521
1-(4-bromo-2-chlorophenyl)-5-methoxy-4-methyl-N-propylpentan-2-amine
CID 105181737
1-(5-bromo-2-fluorophenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine
CID 62601970
1-(5-bromo-2-fluorophenyl)-N-methyl-5-phenylpentan-2-amine
CID 105131693
[1-(3-bromo-4-fluorophenyl)-5-methoxy-4-methylpentan-2-yl]hydrazine
CID 105290502
1-(4-chloro-2-fluorophenyl)-N-ethyl-5-methoxy-4-methylpentan-2-amine
CID 105190411
1-(5-bromo-2-fluorophenyl)-3-propoxypropan-2-ol
CID 62607672
3-(5-bromo-2-fluorophenyl)-2-methyl-N-propylpropan-1-amine
CID 62529881
2-(5-bromo-2-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)ethanamine
CID 115839656

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-5-methoxy-N,4-dimethylpentan-2-amine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-5-methoxy-N,4-dimethylpentan-2-amine (CID 105132287) is 1-(5-bromo-2-fluorophenyl)-5-methoxy-N,4-dimethylpentan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-5-methoxy-N,4-dimethylpentan-2-amine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-5-methoxy-N,4-dimethylpentan-2-amine is CNC(Cc1cc(Br)ccc1F)CC(C)COC.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-5-methoxy-N,4-dimethylpentan-2-amine?
The InChIKey is MTICIMNFPHVTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrFNO/c1-10(9-18-3)6-13(17-2)8-11-7-12(15)4-5-14(11)16/h4-5,7,10,13,17H,6,8-9H2,1-3H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-5-methoxy-N,4-dimethylpentan-2-amine?
1-(5-bromo-2-fluorophenyl)-5-methoxy-N,4-dimethylpentan-2-amine has a molecular weight of 318.23 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-5-methoxy-N,4-dimethylpentan-2-amine is sourced from PubChem (CID 105132287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).