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

C17H27BrFN — CID 115844394

IUPAC1-(4-bromo-2-fluorophenyl)-N-methyldecan-2-amine
SMILESCCCCCCCCC(Cc1ccc(Br)cc1F)NC
InChIInChI=1S/C17H27BrFN/c1-3-4-5-6-7-8-9-16(20-2)12-14-10-11-15(18)13-17(14)19/h10-11,13,16,20H,3-9,12H2,1-2H3
InChIKeyIBWVFASDOANSDW-UHFFFAOYSA-N
MW344.31 g/mol
LogP5.47
Rot. Bonds10

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

1-(4-bromo-2-fluorophenyl)-N-methyldecan-2-amine (PubChem CID 115844394) has the molecular formula C17H27BrFN and a molecular weight of 344.31 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-N-methyldecan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-N-methyldecan-2-amine
PubChem CID115844394
Molecular FormulaC17H27BrFN
Molecular Weight344.31 g/mol
Exact Mass343.13
IUPAC Name1-(4-bromo-2-fluorophenyl)-N-methyldecan-2-amine
SMILESCCCCCCCCC(Cc1ccc(Br)cc1F)NC
InChIInChI=1S/C17H27BrFN/c1-3-4-5-6-7-8-9-16(20-2)12-14-10-11-15(18)13-17(14)19/h10-11,13,16,20H,3-9,12H2,1-2H3
InChIKeyIBWVFASDOANSDW-UHFFFAOYSA-N
XLogP5.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.31
LogP ≤ 55.47
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-methylnonan-2-amine
CID 115844762
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
1-(3-bromo-4-fluorophenyl)-N-methylnonan-2-amine
CID 115819004
N-[(4-bromo-2-fluorophenyl)methyl]octan-2-amine
CID 43220783
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-methyldecan-2-amine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-methyldecan-2-amine (CID 115844394) is 1-(4-bromo-2-fluorophenyl)-N-methyldecan-2-amine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-N-methyldecan-2-amine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-N-methyldecan-2-amine is CCCCCCCCC(Cc1ccc(Br)cc1F)NC.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-N-methyldecan-2-amine?
The InChIKey is IBWVFASDOANSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrFN/c1-3-4-5-6-7-8-9-16(20-2)12-14-10-11-15(18)13-17(14)19/h10-11,13,16,20H,3-9,12H2,1-2H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-N-methyldecan-2-amine?
1-(4-bromo-2-fluorophenyl)-N-methyldecan-2-amine has a molecular weight of 344.31 g/mol, XLogP of 5.47, 10 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-methyldecan-2-amine is sourced from PubChem (CID 115844394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).