N-[(5-bromo-2-fluorophenyl)methyl]-N',N'-dimethylmethanediamine

C10H14BrFN2 — CID 101043657

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-N',N'-dimethylmethanediamine
SMILESCN(C)CNCc1cc(Br)ccc1F
InChIInChI=1S/C10H14BrFN2/c1-14(2)7-13-6-8-5-9(11)3-4-10(8)12/h3-5,13H,6-7H2,1-2H3
InChIKeyWEZNOBNABAGYIE-UHFFFAOYSA-N
MW261.14 g/mol
LogP2.20
Rot. Bonds4

About N-[(5-bromo-2-fluorophenyl)methyl]-N',N'-dimethylmethanediamine

N-[(5-bromo-2-fluorophenyl)methyl]-N',N'-dimethylmethanediamine (PubChem CID 101043657) has the molecular formula C10H14BrFN2 and a molecular weight of 261.14 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-N',N'-dimethylmethanediamine.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-N',N'-dimethylmethanediamine
PubChem CID101043657
Molecular FormulaC10H14BrFN2
Molecular Weight261.14 g/mol
Exact Mass260.03
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-N',N'-dimethylmethanediamine
SMILESCN(C)CNCc1cc(Br)ccc1F
InChIInChI=1S/C10H14BrFN2/c1-14(2)7-13-6-8-5-9(11)3-4-10(8)12/h3-5,13H,6-7H2,1-2H3
InChIKeyWEZNOBNABAGYIE-UHFFFAOYSA-N
XLogP2.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.14
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-N-[(5-bromo-2-fluorophenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222290
1-(5-bromo-2-fluorophenyl)-N-(hydrazinylmethyl)methanamine
CID 115260847
N'-[(5-bromo-2-fluorophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 43081308
N-[(5-bromo-2-fluorophenyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 113222725
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CID 63453864
N-[(5-bromo-2-fluorophenyl)methyl]-2-butoxyethanamine
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CID 65467746
N-[(5-bromo-2-fluorophenyl)methyl]-1-(2,3-difluorophenyl)methanamine
CID 61301397
N-[(5-bromo-2-fluorophenyl)methyl]-3-chloro-2-methylpropan-1-amine
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2-[(5-bromo-2-fluorophenyl)methylamino]-N-methylacetamide
CID 43214414
2,4-dibromo-N-[(5-bromo-2-fluorophenyl)methyl]aniline
CID 43683047
4-[[(5-bromo-2-fluorophenyl)methylamino]methyl]benzene-1,3-diol
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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N',N'-dimethylmethanediamine?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N',N'-dimethylmethanediamine (CID 101043657) is N-[(5-bromo-2-fluorophenyl)methyl]-N',N'-dimethylmethanediamine.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-N',N'-dimethylmethanediamine?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-N',N'-dimethylmethanediamine is CN(C)CNCc1cc(Br)ccc1F.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-N',N'-dimethylmethanediamine?
The InChIKey is WEZNOBNABAGYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrFN2/c1-14(2)7-13-6-8-5-9(11)3-4-10(8)12/h3-5,13H,6-7H2,1-2H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-N',N'-dimethylmethanediamine?
N-[(5-bromo-2-fluorophenyl)methyl]-N',N'-dimethylmethanediamine has a molecular weight of 261.14 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-N',N'-dimethylmethanediamine is sourced from PubChem (CID 101043657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).