(1R)-N-[(3-bromo-2,6-difluorophenyl)methyl]-1-phenylethanamine

C15H14BrF2N — CID 106263465

IUPAC(1R)-N-[(3-bromo-2,6-difluorophenyl)methyl]-1-phenylethanamine
SMILESC[C@@H](NCc1c(F)ccc(Br)c1F)c1ccccc1
InChIInChI=1S/C15H14BrF2N/c1-10(11-5-3-2-4-6-11)19-9-12-14(17)8-7-13(16)15(12)18/h2-8,10,19H,9H2,1H3/t10-/m1/s1
InChIKeyIHZDHUOUEUJIJJ-SNVBAGLBSA-N
MW326.18 g/mol
LogP4.58
Rot. Bonds4

About (1R)-N-[(3-bromo-2,6-difluorophenyl)methyl]-1-phenylethanamine

(1R)-N-[(3-bromo-2,6-difluorophenyl)methyl]-1-phenylethanamine (PubChem CID 106263465) has the molecular formula C15H14BrF2N and a molecular weight of 326.18 g/mol. Its IUPAC name is (1R)-N-[(3-bromo-2,6-difluorophenyl)methyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-N-[(3-bromo-2,6-difluorophenyl)methyl]-1-phenylethanamine
PubChem CID106263465
Molecular FormulaC15H14BrF2N
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC Name(1R)-N-[(3-bromo-2,6-difluorophenyl)methyl]-1-phenylethanamine
SMILESC[C@@H](NCc1c(F)ccc(Br)c1F)c1ccccc1
InChIInChI=1S/C15H14BrF2N/c1-10(11-5-3-2-4-6-11)19-9-12-14(17)8-7-13(16)15(12)18/h2-8,10,19H,9H2,1H3/t10-/m1/s1
InChIKeyIHZDHUOUEUJIJJ-SNVBAGLBSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 54.58
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
N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 106263340
(1S)-N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 106263607
N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 106263274
N-[(3-bromo-2,6-difluorophenyl)methyl]-2-phenylpropan-1-amine
CID 106263718
(1R)-N-[(3-bromo-2,6-difluorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 114165699
N-[(3-bromo-2,6-difluorophenyl)methyl]-3-phenylbutan-1-amine
CID 106263436
N-[(3-bromo-2,6-difluorophenyl)methyl]-1-chloro-4-methylpentan-2-amine
CID 106272310
3-(3-bromo-2,6-difluorophenyl)-N-methyl-2-phenylpropan-1-amine
CID 106943910
3-(3-bromo-2,6-difluorophenyl)-N-ethyl-1-phenylpropan-1-amine
CID 106943528
N-[(3-bromo-2,6-difluorophenyl)methyl]-2-methylpropan-1-amine
CID 106942499

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(3-bromo-2,6-difluorophenyl)methyl]-1-phenylethanamine?
The IUPAC name of (1R)-N-[(3-bromo-2,6-difluorophenyl)methyl]-1-phenylethanamine (CID 106263465) is (1R)-N-[(3-bromo-2,6-difluorophenyl)methyl]-1-phenylethanamine.
What is the SMILES notation for (1R)-N-[(3-bromo-2,6-difluorophenyl)methyl]-1-phenylethanamine?
The canonical SMILES for (1R)-N-[(3-bromo-2,6-difluorophenyl)methyl]-1-phenylethanamine is C[C@@H](NCc1c(F)ccc(Br)c1F)c1ccccc1.
What is the InChIKey of (1R)-N-[(3-bromo-2,6-difluorophenyl)methyl]-1-phenylethanamine?
The InChIKey is IHZDHUOUEUJIJJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14BrF2N/c1-10(11-5-3-2-4-6-11)19-9-12-14(17)8-7-13(16)15(12)18/h2-8,10,19H,9H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-N-[(3-bromo-2,6-difluorophenyl)methyl]-1-phenylethanamine?
(1R)-N-[(3-bromo-2,6-difluorophenyl)methyl]-1-phenylethanamine has a molecular weight of 326.18 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(3-bromo-2,6-difluorophenyl)methyl]-1-phenylethanamine is sourced from PubChem (CID 106263465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).