N-[(2-bromo-5-chlorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine

C17H19BrClN — CID 66160523

IUPACN-[(2-bromo-5-chlorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine
SMILESCc1ccc(C)c(C(C)NCc2cc(Cl)ccc2Br)c1
InChIInChI=1S/C17H19BrClN/c1-11-4-5-12(2)16(8-11)13(3)20-10-14-9-15(19)6-7-17(14)18/h4-9,13,20H,10H2,1-3H3
InChIKeyRASLDDYRJPRECF-UHFFFAOYSA-N
MW352.70 g/mol
LogP5.57
Rot. Bonds4

About N-[(2-bromo-5-chlorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine

N-[(2-bromo-5-chlorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine (PubChem CID 66160523) has the molecular formula C17H19BrClN and a molecular weight of 352.70 g/mol. Its IUPAC name is N-[(2-bromo-5-chlorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-5-chlorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine
PubChem CID66160523
Molecular FormulaC17H19BrClN
Molecular Weight352.70 g/mol
Exact Mass351.04
IUPAC NameN-[(2-bromo-5-chlorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine
SMILESCc1ccc(C)c(C(C)NCc2cc(Cl)ccc2Br)c1
InChIInChI=1S/C17H19BrClN/c1-11-4-5-12(2)16(8-11)13(3)20-10-14-9-15(19)6-7-17(14)18/h4-9,13,20H,10H2,1-3H3
InChIKeyRASLDDYRJPRECF-UHFFFAOYSA-N
XLogP5.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.70
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine
CID 61015592
N-[(3-chloro-2-fluorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine
CID 115664143
(1R)-N-[(2-bromo-5-chlorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403407
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(2,5-dimethylphenyl)ethanamine
CID 102833458
(1S)-N-[(2-bromo-5-chlorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 81399052
N-[(2-bromo-5-methylphenyl)methyl]propan-2-amine
CID 81110490
1-(2,5-dimethylphenyl)-N-[(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 62134587
(1R)-N-[(5-chloro-2-fluorophenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 104979999
N-[(2-bromo-5-chlorophenyl)methyl]-4-methylaniline
CID 66160642
N-[(2-bromo-5-chlorophenyl)methyl]-2-fluoro-5-methylaniline
CID 66160456
N-[(2-bromo-5-chlorophenyl)methyl]-1-(4-chlorophenyl)propan-2-amine
CID 66159290
N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-difluorophenyl)ethanamine
CID 61016312

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-chlorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine?
The IUPAC name of N-[(2-bromo-5-chlorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine (CID 66160523) is N-[(2-bromo-5-chlorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine.
What is the SMILES notation for N-[(2-bromo-5-chlorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine?
The canonical SMILES for N-[(2-bromo-5-chlorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine is Cc1ccc(C)c(C(C)NCc2cc(Cl)ccc2Br)c1.
What is the InChIKey of N-[(2-bromo-5-chlorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine?
The InChIKey is RASLDDYRJPRECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClN/c1-11-4-5-12(2)16(8-11)13(3)20-10-14-9-15(19)6-7-17(14)18/h4-9,13,20H,10H2,1-3H3.
What are the key properties of N-[(2-bromo-5-chlorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine?
N-[(2-bromo-5-chlorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine has a molecular weight of 352.70 g/mol, XLogP of 5.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-chlorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine is sourced from PubChem (CID 66160523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).