N-[(2-bromo-4-methylphenyl)-(3,5-dimethylphenyl)methyl]ethanamine

C18H22BrN — CID 115796773

IUPACN-[(2-bromo-4-methylphenyl)-(3,5-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)cc(C)c1)c1ccc(C)cc1Br
InChIInChI=1S/C18H22BrN/c1-5-20-18(15-9-13(3)8-14(4)10-15)16-7-6-12(2)11-17(16)19/h6-11,18,20H,5H2,1-4H3
InChIKeySVPBZJPOGBQJJI-UHFFFAOYSA-N
MW332.29 g/mol
LogP5.07
Rot. Bonds4

About N-[(2-bromo-4-methylphenyl)-(3,5-dimethylphenyl)methyl]ethanamine

N-[(2-bromo-4-methylphenyl)-(3,5-dimethylphenyl)methyl]ethanamine (PubChem CID 115796773) has the molecular formula C18H22BrN and a molecular weight of 332.29 g/mol. Its IUPAC name is N-[(2-bromo-4-methylphenyl)-(3,5-dimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-4-methylphenyl)-(3,5-dimethylphenyl)methyl]ethanamine
PubChem CID115796773
Molecular FormulaC18H22BrN
Molecular Weight332.29 g/mol
Exact Mass331.09
IUPAC NameN-[(2-bromo-4-methylphenyl)-(3,5-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)cc(C)c1)c1ccc(C)cc1Br
InChIInChI=1S/C18H22BrN/c1-5-20-18(15-9-13(3)8-14(4)10-15)16-7-6-12(2)11-17(16)19/h6-11,18,20H,5H2,1-4H3
InChIKeySVPBZJPOGBQJJI-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.29
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromo-5-methylphenyl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 115796785
N-[(2-bromo-4-methylphenyl)-(furan-3-yl)methyl]ethanamine
CID 115855493
[(2-bromo-4-methylphenyl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 105286712
N-[(2-bromo-4-methylphenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 105016395
N-[(2-bromo-4-methylphenyl)-(3-propylphenyl)methyl]ethanamine
CID 105050326
N-[(2-bromo-4-chlorophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 107994518
N-[(3,5-dimethylphenyl)-(2-methoxy-4-methylphenyl)methyl]ethanamine
CID 106792320
N-[(2-bromo-4-methylphenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 115852716
N-[(2-bromo-4-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine
CID 60787122
N-[(2-bromo-4-methylphenyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 115851889
N-[(2-bromo-4-fluorophenyl)-(3,5-dimethylphenyl)methyl]propan-1-amine
CID 115796443
N-[(3-chloro-5-methylphenyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 81324084

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-methylphenyl)-(3,5-dimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-bromo-4-methylphenyl)-(3,5-dimethylphenyl)methyl]ethanamine (CID 115796773) is N-[(2-bromo-4-methylphenyl)-(3,5-dimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-bromo-4-methylphenyl)-(3,5-dimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-bromo-4-methylphenyl)-(3,5-dimethylphenyl)methyl]ethanamine is CCNC(c1cc(C)cc(C)c1)c1ccc(C)cc1Br.
What is the InChIKey of N-[(2-bromo-4-methylphenyl)-(3,5-dimethylphenyl)methyl]ethanamine?
The InChIKey is SVPBZJPOGBQJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN/c1-5-20-18(15-9-13(3)8-14(4)10-15)16-7-6-12(2)11-17(16)19/h6-11,18,20H,5H2,1-4H3.
What are the key properties of N-[(2-bromo-4-methylphenyl)-(3,5-dimethylphenyl)methyl]ethanamine?
N-[(2-bromo-4-methylphenyl)-(3,5-dimethylphenyl)methyl]ethanamine has a molecular weight of 332.29 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-methylphenyl)-(3,5-dimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 115796773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).