N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(2-chlorophenyl)-N-methylmethanamine

C15H13BrClF2N — CID 106268729

IUPACN-[(3-bromo-2,6-difluorophenyl)methyl]-1-(2-chlorophenyl)-N-methylmethanamine
SMILESCN(Cc1ccccc1Cl)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C15H13BrClF2N/c1-20(8-10-4-2-3-5-13(10)17)9-11-14(18)7-6-12(16)15(11)19/h2-7H,8-9H2,1H3
InChIKeyNUOBCCUFMLSAFU-UHFFFAOYSA-N
MW360.63 g/mol
LogP5.01
Rot. Bonds4

About N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(2-chlorophenyl)-N-methylmethanamine

N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(2-chlorophenyl)-N-methylmethanamine (PubChem CID 106268729) has the molecular formula C15H13BrClF2N and a molecular weight of 360.63 g/mol. Its IUPAC name is N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(2-chlorophenyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[(3-bromo-2,6-difluorophenyl)methyl]-1-(2-chlorophenyl)-N-methylmethanamine
PubChem CID106268729
Molecular FormulaC15H13BrClF2N
Molecular Weight360.63 g/mol
Exact Mass358.99
IUPAC NameN-[(3-bromo-2,6-difluorophenyl)methyl]-1-(2-chlorophenyl)-N-methylmethanamine
SMILESCN(Cc1ccccc1Cl)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C15H13BrClF2N/c1-20(8-10-4-2-3-5-13(10)17)9-11-14(18)7-6-12(16)15(11)19/h2-7H,8-9H2,1H3
InChIKeyNUOBCCUFMLSAFU-UHFFFAOYSA-N
XLogP5.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.63
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(2-chlorophenyl)-N-methylmethanamine?
The IUPAC name of N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(2-chlorophenyl)-N-methylmethanamine (CID 106268729) is N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(2-chlorophenyl)-N-methylmethanamine.
What is the SMILES notation for N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(2-chlorophenyl)-N-methylmethanamine?
The canonical SMILES for N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(2-chlorophenyl)-N-methylmethanamine is CN(Cc1ccccc1Cl)Cc1c(F)ccc(Br)c1F.
What is the InChIKey of N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(2-chlorophenyl)-N-methylmethanamine?
The InChIKey is NUOBCCUFMLSAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClF2N/c1-20(8-10-4-2-3-5-13(10)17)9-11-14(18)7-6-12(16)15(11)19/h2-7H,8-9H2,1H3.
What are the key properties of N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(2-chlorophenyl)-N-methylmethanamine?
N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(2-chlorophenyl)-N-methylmethanamine has a molecular weight of 360.63 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(2-chlorophenyl)-N-methylmethanamine is sourced from PubChem (CID 106268729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).