N-[(3,5-dibromophenyl)-(4-ethylphenyl)methyl]ethanamine

C17H19Br2N — CID 107974191

IUPACN-[(3,5-dibromophenyl)-(4-ethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(CC)cc1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C17H19Br2N/c1-3-12-5-7-13(8-6-12)17(20-4-2)14-9-15(18)11-16(19)10-14/h5-11,17,20H,3-4H2,1-2H3
InChIKeyPLVJJEJNHYEOKB-UHFFFAOYSA-N
MW397.15 g/mol
LogP5.47
Rot. Bonds5

About N-[(3,5-dibromophenyl)-(4-ethylphenyl)methyl]ethanamine

N-[(3,5-dibromophenyl)-(4-ethylphenyl)methyl]ethanamine (PubChem CID 107974191) has the molecular formula C17H19Br2N and a molecular weight of 397.15 g/mol. Its IUPAC name is N-[(3,5-dibromophenyl)-(4-ethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-dibromophenyl)-(4-ethylphenyl)methyl]ethanamine
PubChem CID107974191
Molecular FormulaC17H19Br2N
Molecular Weight397.15 g/mol
Exact Mass394.99
IUPAC NameN-[(3,5-dibromophenyl)-(4-ethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(CC)cc1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C17H19Br2N/c1-3-12-5-7-13(8-6-12)17(20-4-2)14-9-15(18)11-16(19)10-14/h5-11,17,20H,3-4H2,1-2H3
InChIKeyPLVJJEJNHYEOKB-UHFFFAOYSA-N
XLogP5.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.15
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[bis(4-ethylphenyl)methyl]ethanamine
CID 43491437
N-[(4-bromo-3,5-dimethylphenyl)-(4-ethylphenyl)methyl]ethanamine
CID 114330651
N-[(3-bromo-5-chlorophenyl)-(4-propylphenyl)methyl]ethanamine
CID 107945725
N-[(3,4-dichlorophenyl)-(4-ethylphenyl)methyl]ethanamine
CID 43491461
1-(3,5-dibromophenyl)-N-methyl-1-(4-propylphenyl)methanamine
CID 107975019
N-[(3,5-dibromophenyl)-(2,5-dichlorophenyl)methyl]ethanamine
CID 107974842
1-(3-bromo-5-chlorophenyl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 107945351
N-[(4-bromophenyl)-(3,5-dibromophenyl)methyl]propan-1-amine
CID 107979789
N-[(4-ethylphenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 43489197
N-[(4-ethylphenyl)-(3-methylphenyl)methyl]ethanamine
CID 43491470
N-[(4-ethylphenyl)-(5-methylthiophen-3-yl)methyl]ethanamine
CID 65104551
N-[(3-bromophenyl)-[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 43488257

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromophenyl)-(4-ethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3,5-dibromophenyl)-(4-ethylphenyl)methyl]ethanamine (CID 107974191) is N-[(3,5-dibromophenyl)-(4-ethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3,5-dibromophenyl)-(4-ethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3,5-dibromophenyl)-(4-ethylphenyl)methyl]ethanamine is CCNC(c1ccc(CC)cc1)c1cc(Br)cc(Br)c1.
What is the InChIKey of N-[(3,5-dibromophenyl)-(4-ethylphenyl)methyl]ethanamine?
The InChIKey is PLVJJEJNHYEOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Br2N/c1-3-12-5-7-13(8-6-12)17(20-4-2)14-9-15(18)11-16(19)10-14/h5-11,17,20H,3-4H2,1-2H3.
What are the key properties of N-[(3,5-dibromophenyl)-(4-ethylphenyl)methyl]ethanamine?
N-[(3,5-dibromophenyl)-(4-ethylphenyl)methyl]ethanamine has a molecular weight of 397.15 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromophenyl)-(4-ethylphenyl)methyl]ethanamine is sourced from PubChem (CID 107974191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).