1-(3-bromo-4-fluorophenyl)-N-methylnonan-1-amine

C16H25BrFN — CID 79746685

IUPAC1-(3-bromo-4-fluorophenyl)-N-methylnonan-1-amine
SMILESCCCCCCCCC(NC)c1ccc(F)c(Br)c1
InChIInChI=1S/C16H25BrFN/c1-3-4-5-6-7-8-9-16(19-2)13-10-11-15(18)14(17)12-13/h10-12,16,19H,3-9H2,1-2H3
InChIKeyNDMPVMRMGNHESS-UHFFFAOYSA-N
MW330.29 g/mol
LogP5.60
Rot. Bonds9

About 1-(3-bromo-4-fluorophenyl)-N-methylnonan-1-amine

1-(3-bromo-4-fluorophenyl)-N-methylnonan-1-amine (PubChem CID 79746685) has the molecular formula C16H25BrFN and a molecular weight of 330.29 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-N-methylnonan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-N-methylnonan-1-amine
PubChem CID79746685
Molecular FormulaC16H25BrFN
Molecular Weight330.29 g/mol
Exact Mass329.12
IUPAC Name1-(3-bromo-4-fluorophenyl)-N-methylnonan-1-amine
SMILESCCCCCCCCC(NC)c1ccc(F)c(Br)c1
InChIInChI=1S/C16H25BrFN/c1-3-4-5-6-7-8-9-16(19-2)13-10-11-15(18)14(17)12-13/h10-12,16,19H,3-9H2,1-2H3
InChIKeyNDMPVMRMGNHESS-UHFFFAOYSA-N
XLogP5.60
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 ≤ 55.60
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-(3-bromo-4-fluorophenyl)-N-ethylheptan-1-amine
CID 82810387
1-(4-fluoro-3-methylphenyl)-N-methylheptan-1-amine
CID 63413897
1-(3-chloro-4-fluorophenyl)-N-methylnonan-1-amine
CID 63418571
1-(3-fluoro-4-methylphenyl)-N-methyldecan-1-amine
CID 63413701
1-(3-bromo-4-chlorophenyl)-N-methylhexan-1-amine
CID 115567316
1-(4-bromo-3-methylphenyl)-N-methylhexan-1-amine
CID 115837445
2-bromo-4-(1-chloroheptyl)-1-fluorobenzene
CID 114753675
1-(6-bromonaphthalen-2-yl)-N-methylheptan-1-amine
CID 115833804
1-(3-bromo-4-fluorophenyl)-3-ethyl-N-methylpentan-1-amine
CID 82922196
1-(3-fluorophenyl)-N-methylheptan-1-amine
CID 62607373
1-(4-bromo-3-fluorophenyl)nonylhydrazine
CID 105294452
1-(4-bromo-3-fluorophenyl)heptylhydrazine
CID 105294043

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-methylnonan-1-amine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-methylnonan-1-amine (CID 79746685) is 1-(3-bromo-4-fluorophenyl)-N-methylnonan-1-amine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-N-methylnonan-1-amine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-N-methylnonan-1-amine is CCCCCCCCC(NC)c1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-N-methylnonan-1-amine?
The InChIKey is NDMPVMRMGNHESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrFN/c1-3-4-5-6-7-8-9-16(19-2)13-10-11-15(18)14(17)12-13/h10-12,16,19H,3-9H2,1-2H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-N-methylnonan-1-amine?
1-(3-bromo-4-fluorophenyl)-N-methylnonan-1-amine has a molecular weight of 330.29 g/mol, XLogP of 5.60, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-N-methylnonan-1-amine is sourced from PubChem (CID 79746685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).