N-[(5-bromo-2-fluorophenyl)methyl]nonan-2-amine

C16H25BrFN — CID 63455979

IUPACN-[(5-bromo-2-fluorophenyl)methyl]nonan-2-amine
SMILESCCCCCCCC(C)NCc1cc(Br)ccc1F
InChIInChI=1S/C16H25BrFN/c1-3-4-5-6-7-8-13(2)19-12-14-11-15(17)9-10-16(14)18/h9-11,13,19H,3-8,12H2,1-2H3
InChIKeyMSMBZDFQWZQMPH-UHFFFAOYSA-N
MW330.29 g/mol
LogP5.43
Rot. Bonds9

About N-[(5-bromo-2-fluorophenyl)methyl]nonan-2-amine

N-[(5-bromo-2-fluorophenyl)methyl]nonan-2-amine (PubChem CID 63455979) has the molecular formula C16H25BrFN and a molecular weight of 330.29 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]nonan-2-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]nonan-2-amine
PubChem CID63455979
Molecular FormulaC16H25BrFN
Molecular Weight330.29 g/mol
Exact Mass329.12
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]nonan-2-amine
SMILESCCCCCCCC(C)NCc1cc(Br)ccc1F
InChIInChI=1S/C16H25BrFN/c1-3-4-5-6-7-8-13(2)19-12-14-11-15(17)9-10-16(14)18/h9-11,13,19H,3-8,12H2,1-2H3
InChIKeyMSMBZDFQWZQMPH-UHFFFAOYSA-N
XLogP5.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.29
LogP ≤ 55.43
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

N-[(4-bromo-2-fluorophenyl)methyl]octan-2-amine
CID 43220783
4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]butan-2-amine
CID 83186890
N-[(2,5-difluorophenyl)methyl]hexan-2-amine
CID 62196749
N-[(5-bromo-2-methoxyphenyl)methyl]heptan-2-amine
CID 43398788
5-bromo-2-[(heptan-2-ylamino)methyl]aniline
CID 79713483
N-[(5-bromo-2-fluorophenyl)methyl]-1-methylsulfanylpropan-2-amine
CID 115639897
5-bromo-2-fluoro-N-heptan-2-ylaniline
CID 43555241
1-(5-bromo-2-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]ethanamine
CID 82964766
4-bromo-2-fluoro-N-nonan-2-ylaniline
CID 63419505
N-[(5-bromo-2-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine
CID 63987847
N-[(5-fluoro-2-methylphenyl)methyl]octan-2-amine
CID 105370909
N-[(5-bromo-2-propoxyphenyl)methyl]hexan-2-amine
CID 63479004

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]nonan-2-amine?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]nonan-2-amine (CID 63455979) is N-[(5-bromo-2-fluorophenyl)methyl]nonan-2-amine.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]nonan-2-amine?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]nonan-2-amine is CCCCCCCC(C)NCc1cc(Br)ccc1F.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]nonan-2-amine?
The InChIKey is MSMBZDFQWZQMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrFN/c1-3-4-5-6-7-8-13(2)19-12-14-11-15(17)9-10-16(14)18/h9-11,13,19H,3-8,12H2,1-2H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]nonan-2-amine?
N-[(5-bromo-2-fluorophenyl)methyl]nonan-2-amine has a molecular weight of 330.29 g/mol, XLogP of 5.43, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]nonan-2-amine is sourced from PubChem (CID 63455979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).