2-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylethanamine

C10H12BrF2N — CID 82925317

IUPAC2-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylethanamine
SMILESCN(CCBr)Cc1ccc(F)c(F)c1
InChIInChI=1S/C10H12BrF2N/c1-14(5-4-11)7-8-2-3-9(12)10(13)6-8/h2-3,6H,4-5,7H2,1H3
InChIKeyRMPBUTXSIQECCC-UHFFFAOYSA-N
MW264.11 g/mol
LogP2.79
Rot. Bonds4

About 2-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylethanamine

2-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylethanamine (PubChem CID 82925317) has the molecular formula C10H12BrF2N and a molecular weight of 264.11 g/mol. Its IUPAC name is 2-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylethanamine.

Molecular Properties

Compound Name2-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylethanamine
PubChem CID82925317
Molecular FormulaC10H12BrF2N
Molecular Weight264.11 g/mol
Exact Mass263.01
IUPAC Name2-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylethanamine
SMILESCN(CCBr)Cc1ccc(F)c(F)c1
InChIInChI=1S/C10H12BrF2N/c1-14(5-4-11)7-8-2-3-9(12)10(13)6-8/h2-3,6H,4-5,7H2,1H3
InChIKeyRMPBUTXSIQECCC-UHFFFAOYSA-N
XLogP2.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-[(3,4-difluorophenyl)methyl]-N,N'-dimethylmethanediamine
CID 115226993
1-N-[(3,4-difluorophenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine
CID 81490653
N-[(3,4-difluorophenyl)methyl]-N-propylpropan-1-amine
CID 78821646
ethyl 3-[(3,4-difluorophenyl)methyl-methylamino]propanoate
CID 113221274
N,N-dichloro-1-(3,4-difluorophenyl)methanamine
CID 102529861
methyl 2-[(3,4-difluorophenyl)methyl-methylamino]acetate
CID 78912327
2-bromo-N-[(4-tert-butylphenyl)methyl]-N-methylethanamine
CID 80674852
(E)-4-[(3,4-difluorophenyl)methyl-methylamino]but-2-enoic acid
CID 115237200
2-[carboxymethyl-[(3,4-difluorophenyl)methyl]amino]acetic acid
CID 65065447
N'-[(4-chloro-3-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 62680595
2-[[(3,4-difluorophenyl)methyl-methylamino]methyl]butan-1-ol
CID 115250906
3-[[(3,4-difluorophenyl)methyl-methylamino]methyl]cyclobutan-1-ol
CID 82930621

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylethanamine?
The IUPAC name of 2-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylethanamine (CID 82925317) is 2-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylethanamine.
What is the SMILES notation for 2-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylethanamine?
The canonical SMILES for 2-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylethanamine is CN(CCBr)Cc1ccc(F)c(F)c1.
What is the InChIKey of 2-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylethanamine?
The InChIKey is RMPBUTXSIQECCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF2N/c1-14(5-4-11)7-8-2-3-9(12)10(13)6-8/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 2-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylethanamine?
2-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylethanamine has a molecular weight of 264.11 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylethanamine is sourced from PubChem (CID 82925317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).