N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(4-methylphenyl)ethanamine

C16H16BrF2N — CID 106263340

IUPACN-[(3-bromo-2,6-difluorophenyl)methyl]-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(C)NCc2c(F)ccc(Br)c2F)cc1
InChIInChI=1S/C16H16BrF2N/c1-10-3-5-12(6-4-10)11(2)20-9-13-15(18)8-7-14(17)16(13)19/h3-8,11,20H,9H2,1-2H3
InChIKeyQPUIBWUAYJSKHC-UHFFFAOYSA-N
MW340.21 g/mol
LogP4.89
Rot. Bonds4

About N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(4-methylphenyl)ethanamine

N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(4-methylphenyl)ethanamine (PubChem CID 106263340) has the molecular formula C16H16BrF2N and a molecular weight of 340.21 g/mol. Its IUPAC name is N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(3-bromo-2,6-difluorophenyl)methyl]-1-(4-methylphenyl)ethanamine
PubChem CID106263340
Molecular FormulaC16H16BrF2N
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC NameN-[(3-bromo-2,6-difluorophenyl)methyl]-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(C)NCc2c(F)ccc(Br)c2F)cc1
InChIInChI=1S/C16H16BrF2N/c1-10-3-5-12(6-4-10)11(2)20-9-13-15(18)8-7-14(17)16(13)19/h3-8,11,20H,9H2,1-2H3
InChIKeyQPUIBWUAYJSKHC-UHFFFAOYSA-N
XLogP4.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(4-bromophenyl)ethanamine
CID 106263328
(1R)-N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(4-bromophenyl)ethanamine
CID 106263598
(1R)-N-[(3-bromo-2,6-difluorophenyl)methyl]-1-phenylethanamine
CID 106263465
N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 106263274
(1S)-N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 106263607
(1R)-N-[(3-bromo-2,6-difluorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 114165699
N-[(3-bromo-2,6-difluorophenyl)methyl]-1-chloro-4-methylpentan-2-amine
CID 106272310
N-[(3-bromo-2,6-difluorophenyl)methyl]-2-methylpropan-1-amine
CID 106942499
2-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-5-methylaniline
CID 106263661
2-[(3-bromo-2,6-difluorophenyl)methyl]-1,1-dimethylhydrazine
CID 106263667
N-[(3-bromo-2,6-difluorophenyl)methyl]-2-chloropropan-1-amine
CID 106272287
N-[(3-bromo-2,6-difluorophenyl)methyl]hexan-3-amine
CID 106263388

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(4-methylphenyl)ethanamine?
The IUPAC name of N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(4-methylphenyl)ethanamine (CID 106263340) is N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(4-methylphenyl)ethanamine?
The canonical SMILES for N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(4-methylphenyl)ethanamine is Cc1ccc(C(C)NCc2c(F)ccc(Br)c2F)cc1.
What is the InChIKey of N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(4-methylphenyl)ethanamine?
The InChIKey is QPUIBWUAYJSKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2N/c1-10-3-5-12(6-4-10)11(2)20-9-13-15(18)8-7-14(17)16(13)19/h3-8,11,20H,9H2,1-2H3.
What are the key properties of N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(4-methylphenyl)ethanamine?
N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(4-methylphenyl)ethanamine has a molecular weight of 340.21 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 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-(4-methylphenyl)ethanamine is sourced from PubChem (CID 106263340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).