N-[(3-bromo-4-chlorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine

C17H19BrClN — CID 115567471

IUPACN-[(3-bromo-4-chlorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(C)c1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C17H19BrClN/c1-4-20-17(13-6-5-11(2)12(3)9-13)14-7-8-16(19)15(18)10-14/h5-10,17,20H,4H2,1-3H3
InChIKeyCHIPHBYCWROENO-UHFFFAOYSA-N
MW352.70 g/mol
LogP5.42
Rot. Bonds4

About N-[(3-bromo-4-chlorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine

N-[(3-bromo-4-chlorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine (PubChem CID 115567471) has the molecular formula C17H19BrClN and a molecular weight of 352.70 g/mol. Its IUPAC name is N-[(3-bromo-4-chlorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromo-4-chlorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
PubChem CID115567471
Molecular FormulaC17H19BrClN
Molecular Weight352.70 g/mol
Exact Mass351.04
IUPAC NameN-[(3-bromo-4-chlorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(C)c1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C17H19BrClN/c1-4-20-17(13-6-5-11(2)12(3)9-13)14-7-8-16(19)15(18)10-14/h5-10,17,20H,4H2,1-3H3
InChIKeyCHIPHBYCWROENO-UHFFFAOYSA-N
XLogP5.42
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 ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromo-4-chlorophenyl)-(3-methylphenyl)methyl]ethanamine
CID 115567422
[(3-bromo-4-chlorophenyl)-(3,4-dimethylphenyl)methyl]hydrazine
CID 105261045
N-[(3-bromo-4-methoxyphenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 43487806
N-[(3,4-dimethylphenyl)-(4-methylphenyl)methyl]ethanamine
CID 43488020
N-[(3-chloro-4-methylphenyl)-(4-chloro-3-methylphenyl)methyl]ethanamine
CID 107562052
N-[(3-bromo-4-chlorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 107998702
N-[(3-bromo-4-methylphenyl)-phenylmethyl]ethanamine
CID 81471923
N-[(3-bromo-4-chlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine
CID 107998636
N-[(3-bromo-4-chlorophenyl)-(5-bromo-2-methoxyphenyl)methyl]ethanamine
CID 107998622
N-[(3-bromo-4-methylphenyl)-(2-chloro-5-fluorophenyl)methyl]ethanamine
CID 105397062
N-[(2,4-dibromophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 107945585
N-[(4-chloro-3-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 107130379

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-chlorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-bromo-4-chlorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine (CID 115567471) is N-[(3-bromo-4-chlorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-bromo-4-chlorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-bromo-4-chlorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine is CCNC(c1ccc(C)c(C)c1)c1ccc(Cl)c(Br)c1.
What is the InChIKey of N-[(3-bromo-4-chlorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine?
The InChIKey is CHIPHBYCWROENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClN/c1-4-20-17(13-6-5-11(2)12(3)9-13)14-7-8-16(19)15(18)10-14/h5-10,17,20H,4H2,1-3H3.
What are the key properties of N-[(3-bromo-4-chlorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine?
N-[(3-bromo-4-chlorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine has a molecular weight of 352.70 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-chlorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 115567471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).