1-(2-bromo-3-fluorophenyl)nonan-1-amine

C15H23BrFN — CID 115835760

IUPAC1-(2-bromo-3-fluorophenyl)nonan-1-amine
SMILESCCCCCCCCC(N)c1cccc(F)c1Br
InChIInChI=1S/C15H23BrFN/c1-2-3-4-5-6-7-11-14(18)12-9-8-10-13(17)15(12)16/h8-10,14H,2-7,11,18H2,1H3
InChIKeyWGSFLYBXNPFHFX-UHFFFAOYSA-N
MW316.26 g/mol
LogP5.34
Rot. Bonds8

About 1-(2-bromo-3-fluorophenyl)nonan-1-amine

1-(2-bromo-3-fluorophenyl)nonan-1-amine (PubChem CID 115835760) has the molecular formula C15H23BrFN and a molecular weight of 316.26 g/mol. Its IUPAC name is 1-(2-bromo-3-fluorophenyl)nonan-1-amine.

Molecular Properties

Compound Name1-(2-bromo-3-fluorophenyl)nonan-1-amine
PubChem CID115835760
Molecular FormulaC15H23BrFN
Molecular Weight316.26 g/mol
Exact Mass315.10
IUPAC Name1-(2-bromo-3-fluorophenyl)nonan-1-amine
SMILESCCCCCCCCC(N)c1cccc(F)c1Br
InChIInChI=1S/C15H23BrFN/c1-2-3-4-5-6-7-11-14(18)12-9-8-10-13(17)15(12)16/h8-10,14H,2-7,11,18H2,1H3
InChIKeyWGSFLYBXNPFHFX-UHFFFAOYSA-N
XLogP5.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.26
LogP ≤ 55.34
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

(1S)-1-(2-chloro-3-fluorophenyl)hexan-1-amine
CID 171222601
(1R)-1-(2-bromo-3-fluorophenyl)propane-1,3-diamine
CID 130889083
1-(3-bromo-2-fluorophenyl)undecan-1-amine
CID 107952817
1-(2-bromo-3-fluorophenyl)undecylhydrazine
CID 105298339
1-(2-bromo-3-fluorophenyl)-N-methylheptan-1-amine
CID 115833205
1-(2-bromo-3-fluorophenyl)hex-5-en-1-amine
CID 104987122
1-(5-bromo-2-fluorophenyl)octan-1-amine
CID 114894454
1-(3-bromo-2-methylphenyl)octan-1-amine
CID 115832299
1-(2-bromo-3-fluorophenyl)-4,4,4-trifluorobutan-1-amine
CID 104992921
1-(2-bromophenyl)hexan-1-amine
CID 62604682
2-[(1S)-1-aminopentyl]-6-fluorophenol
CID 171218437
1-(1-bromoheptyl)-2,3-difluorobenzene
CID 10989939

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-fluorophenyl)nonan-1-amine?
The IUPAC name of 1-(2-bromo-3-fluorophenyl)nonan-1-amine (CID 115835760) is 1-(2-bromo-3-fluorophenyl)nonan-1-amine.
What is the SMILES notation for 1-(2-bromo-3-fluorophenyl)nonan-1-amine?
The canonical SMILES for 1-(2-bromo-3-fluorophenyl)nonan-1-amine is CCCCCCCCC(N)c1cccc(F)c1Br.
What is the InChIKey of 1-(2-bromo-3-fluorophenyl)nonan-1-amine?
The InChIKey is WGSFLYBXNPFHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrFN/c1-2-3-4-5-6-7-11-14(18)12-9-8-10-13(17)15(12)16/h8-10,14H,2-7,11,18H2,1H3.
What are the key properties of 1-(2-bromo-3-fluorophenyl)nonan-1-amine?
1-(2-bromo-3-fluorophenyl)nonan-1-amine has a molecular weight of 316.26 g/mol, XLogP of 5.34, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-fluorophenyl)nonan-1-amine is sourced from PubChem (CID 115835760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).