N-[[4-(4-bromophenyl)-3-methylphenyl]methyl]ethanamine

C16H18BrN — CID 66479837

IUPACN-[[4-(4-bromophenyl)-3-methylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2ccc(Br)cc2)c(C)c1
InChIInChI=1S/C16H18BrN/c1-3-18-11-13-4-9-16(12(2)10-13)14-5-7-15(17)8-6-14/h4-10,18H,3,11H2,1-2H3
InChIKeyIPFOMJDITVIBTK-UHFFFAOYSA-N
MW304.23 g/mol
LogP4.53
Rot. Bonds4

About N-[[4-(4-bromophenyl)-3-methylphenyl]methyl]ethanamine

N-[[4-(4-bromophenyl)-3-methylphenyl]methyl]ethanamine (PubChem CID 66479837) has the molecular formula C16H18BrN and a molecular weight of 304.23 g/mol. Its IUPAC name is N-[[4-(4-bromophenyl)-3-methylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(4-bromophenyl)-3-methylphenyl]methyl]ethanamine
PubChem CID66479837
Molecular FormulaC16H18BrN
Molecular Weight304.23 g/mol
Exact Mass303.06
IUPAC NameN-[[4-(4-bromophenyl)-3-methylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2ccc(Br)cc2)c(C)c1
InChIInChI=1S/C16H18BrN/c1-3-18-11-13-4-9-16(12(2)10-13)14-5-7-15(17)8-6-14/h4-10,18H,3,11H2,1-2H3
InChIKeyIPFOMJDITVIBTK-UHFFFAOYSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[3-methyl-4-(4-propan-2-ylphenyl)phenyl]methyl]ethanamine
CID 66481816
N-[[4-(5-bromo-2-fluorophenyl)-3-methylphenyl]methyl]ethanamine
CID 79742796
N-[[4-(2,4,5-trimethylphenyl)phenyl]methyl]ethanamine
CID 64985239
1-(4-bromophenyl)-4-[4-(4-bromophenyl)-3-methylphenyl]-2-methylbenzene
CID 167027161
N-[(3-bromo-4-methylphenyl)methyl]ethanamine
CID 81471854
N-[[4-(4-fluoro-2,6-dimethylphenyl)-3-methylphenyl]methyl]ethanamine
CID 106879378
N-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]ethanamine
CID 105408911
1-(4-bromophenyl)-2-methyl-4-(4-pentylphenyl)benzene
CID 126599984
N-[[4-(4-ethylphenyl)-3-methylphenyl]methyl]propan-2-amine
CID 66480830
N-[[4-(2-fluoro-4,6-dimethylphenyl)-3-methylphenyl]methyl]ethanamine
CID 106882243
N-[[4-(2-methoxy-3,4-dimethylphenyl)-3-methylphenyl]methyl]ethanamine
CID 103434154
N-[[4-(2,3-dichlorophenyl)-3-methylphenyl]methyl]ethanamine
CID 66479018

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-bromophenyl)-3-methylphenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(4-bromophenyl)-3-methylphenyl]methyl]ethanamine (CID 66479837) is N-[[4-(4-bromophenyl)-3-methylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(4-bromophenyl)-3-methylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(4-bromophenyl)-3-methylphenyl]methyl]ethanamine is CCNCc1ccc(-c2ccc(Br)cc2)c(C)c1.
What is the InChIKey of N-[[4-(4-bromophenyl)-3-methylphenyl]methyl]ethanamine?
The InChIKey is IPFOMJDITVIBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN/c1-3-18-11-13-4-9-16(12(2)10-13)14-5-7-15(17)8-6-14/h4-10,18H,3,11H2,1-2H3.
What are the key properties of N-[[4-(4-bromophenyl)-3-methylphenyl]methyl]ethanamine?
N-[[4-(4-bromophenyl)-3-methylphenyl]methyl]ethanamine has a molecular weight of 304.23 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-bromophenyl)-3-methylphenyl]methyl]ethanamine is sourced from PubChem (CID 66479837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).