N-[(2-bromophenyl)-difluoromethyl]-N-methylethanamine

C10H12BrF2N — CID 66836634

IUPACN-[(2-bromophenyl)-difluoromethyl]-N-methylethanamine
SMILESCCN(C)C(F)(F)c1ccccc1Br
InChIInChI=1S/C10H12BrF2N/c1-3-14(2)10(12,13)8-6-4-5-7-9(8)11/h4-7H,3H2,1-2H3
InChIKeyXSCVOKVCCSUDSE-UHFFFAOYSA-N
MW264.11 g/mol
LogP3.45
Rot. Bonds3

About N-[(2-bromophenyl)-difluoromethyl]-N-methylethanamine

N-[(2-bromophenyl)-difluoromethyl]-N-methylethanamine (PubChem CID 66836634) has the molecular formula C10H12BrF2N and a molecular weight of 264.11 g/mol. Its IUPAC name is N-[(2-bromophenyl)-difluoromethyl]-N-methylethanamine.

Molecular Properties

Compound NameN-[(2-bromophenyl)-difluoromethyl]-N-methylethanamine
PubChem CID66836634
Molecular FormulaC10H12BrF2N
Molecular Weight264.11 g/mol
Exact Mass263.01
IUPAC NameN-[(2-bromophenyl)-difluoromethyl]-N-methylethanamine
SMILESCCN(C)C(F)(F)c1ccccc1Br
InChIInChI=1S/C10H12BrF2N/c1-3-14(2)10(12,13)8-6-4-5-7-9(8)11/h4-7H,3H2,1-2H3
InChIKeyXSCVOKVCCSUDSE-UHFFFAOYSA-N
XLogP3.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)-difluoromethyl]-N-methylethanamine?
The IUPAC name of N-[(2-bromophenyl)-difluoromethyl]-N-methylethanamine (CID 66836634) is N-[(2-bromophenyl)-difluoromethyl]-N-methylethanamine.
What is the SMILES notation for N-[(2-bromophenyl)-difluoromethyl]-N-methylethanamine?
The canonical SMILES for N-[(2-bromophenyl)-difluoromethyl]-N-methylethanamine is CCN(C)C(F)(F)c1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)-difluoromethyl]-N-methylethanamine?
The InChIKey is XSCVOKVCCSUDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF2N/c1-3-14(2)10(12,13)8-6-4-5-7-9(8)11/h4-7H,3H2,1-2H3.
What are the key properties of N-[(2-bromophenyl)-difluoromethyl]-N-methylethanamine?
N-[(2-bromophenyl)-difluoromethyl]-N-methylethanamine has a molecular weight of 264.11 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)-difluoromethyl]-N-methylethanamine is sourced from PubChem (CID 66836634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).