1-(4-bromo-2-fluorophenyl)-N-methylnonan-2-amine

C16H25BrFN — CID 115844762

IUPAC1-(4-bromo-2-fluorophenyl)-N-methylnonan-2-amine
SMILESCCCCCCCC(Cc1ccc(Br)cc1F)NC
InChIInChI=1S/C16H25BrFN/c1-3-4-5-6-7-8-15(19-2)11-13-9-10-14(17)12-16(13)18/h9-10,12,15,19H,3-8,11H2,1-2H3
InChIKeyDEYXGAARNHTVCJ-UHFFFAOYSA-N
MW330.28 g/mol
LogP5.08
Rot. Bonds9

About 1-(4-bromo-2-fluorophenyl)-N-methylnonan-2-amine

1-(4-bromo-2-fluorophenyl)-N-methylnonan-2-amine (PubChem CID 115844762) has the molecular formula C16H25BrFN and a molecular weight of 330.28 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-N-methylnonan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-N-methylnonan-2-amine
PubChem CID115844762
Molecular FormulaC16H25BrFN
Molecular Weight330.28 g/mol
Exact Mass329.12
IUPAC Name1-(4-bromo-2-fluorophenyl)-N-methylnonan-2-amine
SMILESCCCCCCCC(Cc1ccc(Br)cc1F)NC
InChIInChI=1S/C16H25BrFN/c1-3-4-5-6-7-8-15(19-2)11-13-9-10-14(17)12-16(13)18/h9-10,12,15,19H,3-8,11H2,1-2H3
InChIKeyDEYXGAARNHTVCJ-UHFFFAOYSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.28
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-2-fluorophenyl)-N-methyldecan-2-amine
CID 115844394
1-(4-bromo-2-fluorophenyl)-N-ethylnonan-2-amine
CID 115844761
1-(2,4-difluorophenyl)-N-methylundecan-2-amine
CID 64560625
1-(4-bromo-2-fluorophenyl)-N-methyl-5-phenylpentan-2-amine
CID 105137092
4-(4-bromo-2-fluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 115346335
1-(2,5-difluorophenyl)-N-methylundecan-2-amine
CID 115810021
1-(4-bromo-2-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 62694239
3-(4-bromo-2-fluorophenyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine
CID 79093587
N-[(4-bromo-2-fluorophenyl)methyl]octan-2-amine
CID 43220783
1-(3-bromo-4-fluorophenyl)-N-methylnonan-2-amine
CID 115819004
4-bromo-2-fluoro-1-(2-methylhexyl)benzene
CID 174421477
1-(2-chloro-4-methylphenyl)-N-methyloctan-2-amine
CID 106867862

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-methylnonan-2-amine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-methylnonan-2-amine (CID 115844762) is 1-(4-bromo-2-fluorophenyl)-N-methylnonan-2-amine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-N-methylnonan-2-amine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-N-methylnonan-2-amine is CCCCCCCC(Cc1ccc(Br)cc1F)NC.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-N-methylnonan-2-amine?
The InChIKey is DEYXGAARNHTVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrFN/c1-3-4-5-6-7-8-15(19-2)11-13-9-10-14(17)12-16(13)18/h9-10,12,15,19H,3-8,11H2,1-2H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-N-methylnonan-2-amine?
1-(4-bromo-2-fluorophenyl)-N-methylnonan-2-amine has a molecular weight of 330.28 g/mol, XLogP of 5.08, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-N-methylnonan-2-amine is sourced from PubChem (CID 115844762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).