N-[(2,4-dibromophenyl)-(3,4-dimethylphenyl)methyl]ethanamine

C17H19Br2N — CID 107945585

IUPACN-[(2,4-dibromophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(C)c1)c1ccc(Br)cc1Br
InChIInChI=1S/C17H19Br2N/c1-4-20-17(13-6-5-11(2)12(3)9-13)15-8-7-14(18)10-16(15)19/h5-10,17,20H,4H2,1-3H3
InChIKeyOKKWUKYWYWBPRE-UHFFFAOYSA-N
MW397.15 g/mol
LogP5.53
Rot. Bonds4

About N-[(2,4-dibromophenyl)-(3,4-dimethylphenyl)methyl]ethanamine

N-[(2,4-dibromophenyl)-(3,4-dimethylphenyl)methyl]ethanamine (PubChem CID 107945585) has the molecular formula C17H19Br2N and a molecular weight of 397.15 g/mol. Its IUPAC name is N-[(2,4-dibromophenyl)-(3,4-dimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,4-dibromophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
PubChem CID107945585
Molecular FormulaC17H19Br2N
Molecular Weight397.15 g/mol
Exact Mass394.99
IUPAC NameN-[(2,4-dibromophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(C)c1)c1ccc(Br)cc1Br
InChIInChI=1S/C17H19Br2N/c1-4-20-17(13-6-5-11(2)12(3)9-13)15-8-7-14(18)10-16(15)19/h5-10,17,20H,4H2,1-3H3
InChIKeyOKKWUKYWYWBPRE-UHFFFAOYSA-N
XLogP5.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.15
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,4-dibromophenyl)-(3,4-dichlorophenyl)methyl]ethanamine
CID 107944930
N-[(2-bromo-3,4-difluorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 107539382
N-[(2,5-dimethylphenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 43487964
N-[(3-bromo-4-chlorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 115567471
N-[(2-bromo-4-fluorophenyl)-(4-bromophenyl)methyl]ethanamine
CID 43488718
N-[(2-bromo-4-fluorophenyl)-(3-chloro-4-methylphenyl)methyl]ethanamine
CID 107560861
N-[(3-bromo-4-methoxyphenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 43487806
N-[(2,4-dichlorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 43487938
N-[(2-bromo-4-methoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 63210003
N-[(3,4-dimethylphenyl)-(4-methylphenyl)methyl]ethanamine
CID 43488020
N-[(3-bromo-4-fluorophenyl)-(4-bromo-2-fluorophenyl)methyl]ethanamine
CID 79746769
N-[(4-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 43487968

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dibromophenyl)-(3,4-dimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2,4-dibromophenyl)-(3,4-dimethylphenyl)methyl]ethanamine (CID 107945585) is N-[(2,4-dibromophenyl)-(3,4-dimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,4-dibromophenyl)-(3,4-dimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2,4-dibromophenyl)-(3,4-dimethylphenyl)methyl]ethanamine is CCNC(c1ccc(C)c(C)c1)c1ccc(Br)cc1Br.
What is the InChIKey of N-[(2,4-dibromophenyl)-(3,4-dimethylphenyl)methyl]ethanamine?
The InChIKey is OKKWUKYWYWBPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Br2N/c1-4-20-17(13-6-5-11(2)12(3)9-13)15-8-7-14(18)10-16(15)19/h5-10,17,20H,4H2,1-3H3.
What are the key properties of N-[(2,4-dibromophenyl)-(3,4-dimethylphenyl)methyl]ethanamine?
N-[(2,4-dibromophenyl)-(3,4-dimethylphenyl)methyl]ethanamine has a molecular weight of 397.15 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dibromophenyl)-(3,4-dimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 107945585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).