N-[(2-bromophenyl)methyl]-2-(2-methylphenyl)ethanamine

C16H18BrN — CID 78910561

IUPACN-[(2-bromophenyl)methyl]-2-(2-methylphenyl)ethanamine
SMILESCc1ccccc1CCNCc1ccccc1Br
InChIInChI=1S/C16H18BrN/c1-13-6-2-3-7-14(13)10-11-18-12-15-8-4-5-9-16(15)17/h2-9,18H,10-12H2,1H3
InChIKeyBFVZZSCQWGHUBW-UHFFFAOYSA-N
MW304.23 g/mol
LogP4.09
Rot. Bonds5

About N-[(2-bromophenyl)methyl]-2-(2-methylphenyl)ethanamine

N-[(2-bromophenyl)methyl]-2-(2-methylphenyl)ethanamine (PubChem CID 78910561) has the molecular formula C16H18BrN and a molecular weight of 304.23 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-2-(2-methylphenyl)ethanamine
PubChem CID78910561
Molecular FormulaC16H18BrN
Molecular Weight304.23 g/mol
Exact Mass303.06
IUPAC NameN-[(2-bromophenyl)methyl]-2-(2-methylphenyl)ethanamine
SMILESCc1ccccc1CCNCc1ccccc1Br
InChIInChI=1S/C16H18BrN/c1-13-6-2-3-7-14(13)10-11-18-12-15-8-4-5-9-16(15)17/h2-9,18H,10-12H2,1H3
InChIKeyBFVZZSCQWGHUBW-UHFFFAOYSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-bromo-2-fluorophenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 78910576
3-[[2-(2-methylphenyl)ethylamino]methyl]benzene-1,2-diol
CID 79762957
N-[(5-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 78911502
N-[(2-bromophenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 55062660
1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea
CID 52797116
N-[(4-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 78911495
N-[(2,5-dimethylthiophen-3-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 79763664
N-[(2-chloro-3-fluorophenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 112652160
4-methyl-2-[[2-(2-methylphenyl)ethylamino]methyl]phenol
CID 78959999
N'-[2-(2-bromophenyl)ethyl]-N-methylmethanediamine
CID 115227263
N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 79749615
N-methyl-4-[[2-(2-methylphenyl)ethylamino]methyl]aniline
CID 115212839

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-2-(2-methylphenyl)ethanamine?
The IUPAC name of N-[(2-bromophenyl)methyl]-2-(2-methylphenyl)ethanamine (CID 78910561) is N-[(2-bromophenyl)methyl]-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-2-(2-methylphenyl)ethanamine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-2-(2-methylphenyl)ethanamine is Cc1ccccc1CCNCc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-2-(2-methylphenyl)ethanamine?
The InChIKey is BFVZZSCQWGHUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN/c1-13-6-2-3-7-14(13)10-11-18-12-15-8-4-5-9-16(15)17/h2-9,18H,10-12H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-2-(2-methylphenyl)ethanamine?
N-[(2-bromophenyl)methyl]-2-(2-methylphenyl)ethanamine has a molecular weight of 304.23 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 78910561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).