1-(5-bromo-2-fluorophenyl)-N-methyl-3-phenylpentan-2-amine

C18H21BrFN — CID 115839364

IUPAC1-(5-bromo-2-fluorophenyl)-N-methyl-3-phenylpentan-2-amine
SMILESCCC(c1ccccc1)C(Cc1cc(Br)ccc1F)NC
InChIInChI=1S/C18H21BrFN/c1-3-16(13-7-5-4-6-8-13)18(21-2)12-14-11-15(19)9-10-17(14)20/h4-11,16,18,21H,3,12H2,1-2H3
InChIKeyKLLRWAIWNHVYON-UHFFFAOYSA-N
MW350.28 g/mol
LogP4.91
Rot. Bonds6

About 1-(5-bromo-2-fluorophenyl)-N-methyl-3-phenylpentan-2-amine

1-(5-bromo-2-fluorophenyl)-N-methyl-3-phenylpentan-2-amine (PubChem CID 115839364) has the molecular formula C18H21BrFN and a molecular weight of 350.28 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-N-methyl-3-phenylpentan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-N-methyl-3-phenylpentan-2-amine
PubChem CID115839364
Molecular FormulaC18H21BrFN
Molecular Weight350.28 g/mol
Exact Mass349.08
IUPAC Name1-(5-bromo-2-fluorophenyl)-N-methyl-3-phenylpentan-2-amine
SMILESCCC(c1ccccc1)C(Cc1cc(Br)ccc1F)NC
InChIInChI=1S/C18H21BrFN/c1-3-16(13-7-5-4-6-8-13)18(21-2)12-14-11-15(19)9-10-17(14)20/h4-11,16,18,21H,3,12H2,1-2H3
InChIKeyKLLRWAIWNHVYON-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.28
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-difluorophenyl)-N-methyl-3-phenylpentan-2-amine
CID 105055608
[1-(5-bromo-2-fluorophenyl)-3-methylpentan-2-yl]hydrazine
CID 105219642
4-bromo-2-(3-chloro-2-methyl-3-phenylpropyl)-1-fluorobenzene
CID 104846335
3-(5-bromo-2-fluorophenyl)-2-methyl-1-phenylpropan-1-ol
CID 104846115
1-(5-bromo-2-fluorophenyl)-N,4-dimethylhexan-2-amine
CID 115839350
1-(5-bromo-2-fluorophenyl)-N-methyl-5-phenylpentan-2-amine
CID 105131693
2-bromo-4-(1-bromo-2-phenylbutyl)-1-fluorobenzene
CID 79742324
3-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)-N-ethylpropan-1-amine
CID 79430252
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 63418096
1-(3-bromophenyl)-N-ethyl-3-phenylpentan-2-amine
CID 115788902
1-(4-bromo-2-fluorophenyl)-3-methoxy-N-methylpentan-2-amine
CID 116715352
N-methyl-3-phenyl-1-thiophen-3-ylpentan-2-amine
CID 115845128

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-methyl-3-phenylpentan-2-amine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-methyl-3-phenylpentan-2-amine (CID 115839364) is 1-(5-bromo-2-fluorophenyl)-N-methyl-3-phenylpentan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-N-methyl-3-phenylpentan-2-amine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-N-methyl-3-phenylpentan-2-amine is CCC(c1ccccc1)C(Cc1cc(Br)ccc1F)NC.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-N-methyl-3-phenylpentan-2-amine?
The InChIKey is KLLRWAIWNHVYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrFN/c1-3-16(13-7-5-4-6-8-13)18(21-2)12-14-11-15(19)9-10-17(14)20/h4-11,16,18,21H,3,12H2,1-2H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-N-methyl-3-phenylpentan-2-amine?
1-(5-bromo-2-fluorophenyl)-N-methyl-3-phenylpentan-2-amine has a molecular weight of 350.28 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-N-methyl-3-phenylpentan-2-amine is sourced from PubChem (CID 115839364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).