N-[(5-bromo-2-fluorophenyl)methyl]-3-chloro-2-methylpropan-1-amine

C11H14BrClFN — CID 65037198

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-3-chloro-2-methylpropan-1-amine
SMILESCC(CCl)CNCc1cc(Br)ccc1F
InChIInChI=1S/C11H14BrClFN/c1-8(5-13)6-15-7-9-4-10(12)2-3-11(9)14/h2-4,8,15H,5-7H2,1H3
InChIKeyFVWDMZBBSRFDOL-UHFFFAOYSA-N
MW294.60 g/mol
LogP3.55
Rot. Bonds5

About N-[(5-bromo-2-fluorophenyl)methyl]-3-chloro-2-methylpropan-1-amine

N-[(5-bromo-2-fluorophenyl)methyl]-3-chloro-2-methylpropan-1-amine (PubChem CID 65037198) has the molecular formula C11H14BrClFN and a molecular weight of 294.60 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-3-chloro-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-3-chloro-2-methylpropan-1-amine
PubChem CID65037198
Molecular FormulaC11H14BrClFN
Molecular Weight294.60 g/mol
Exact Mass293.00
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-3-chloro-2-methylpropan-1-amine
SMILESCC(CCl)CNCc1cc(Br)ccc1F
InChIInChI=1S/C11H14BrClFN/c1-8(5-13)6-15-7-9-4-10(12)2-3-11(9)14/h2-4,8,15H,5-7H2,1H3
InChIKeyFVWDMZBBSRFDOL-UHFFFAOYSA-N
XLogP3.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.60
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-4-chloropentan-1-amine
CID 106122067
N-[(5-bromo-2-fluorophenyl)methyl]-2-propan-2-ylsulfonylethanamine
CID 106723390
N-[(5-bromo-2-fluorophenyl)methyl]-N',N'-dimethylmethanediamine
CID 101043657
3-(5-bromo-2-fluorophenyl)-2-methyl-N-propylpropan-1-amine
CID 62529881
4-(5-bromo-2-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 64666270
N'-[(5-bromo-2-fluorophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 43081308
3-[(5-bromo-2-fluorophenyl)methylamino]-2-hydroxypropanamide
CID 106170380
N-[(5-chloro-2-fluorophenyl)methyl]-3-methoxy-2-methylpropan-1-amine
CID 115762111
3-amino-4-[(5-bromo-2-fluorophenyl)methylamino]butanoic acid
CID 115241706
N-[(5-bromo-2-fluorophenyl)methyl]-3-propan-2-yloxypropan-1-amine
CID 28726559
1-(5-bromo-2-fluorophenyl)-N-(hydrazinylmethyl)methanamine
CID 115260847
1-[(5-chloro-2-fluorophenyl)methylamino]propan-2-ol
CID 82471992

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-3-chloro-2-methylpropan-1-amine?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-3-chloro-2-methylpropan-1-amine (CID 65037198) is N-[(5-bromo-2-fluorophenyl)methyl]-3-chloro-2-methylpropan-1-amine.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-3-chloro-2-methylpropan-1-amine?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-3-chloro-2-methylpropan-1-amine is CC(CCl)CNCc1cc(Br)ccc1F.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-3-chloro-2-methylpropan-1-amine?
The InChIKey is FVWDMZBBSRFDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClFN/c1-8(5-13)6-15-7-9-4-10(12)2-3-11(9)14/h2-4,8,15H,5-7H2,1H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-3-chloro-2-methylpropan-1-amine?
N-[(5-bromo-2-fluorophenyl)methyl]-3-chloro-2-methylpropan-1-amine has a molecular weight of 294.60 g/mol, XLogP of 3.55, 5 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]-3-chloro-2-methylpropan-1-amine is sourced from PubChem (CID 65037198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).