N-[(4-bromophenyl)methyl]-2-(2-methylpropoxy)ethanamine

C13H20BrNO — CID 115584556

IUPACN-[(4-bromophenyl)methyl]-2-(2-methylpropoxy)ethanamine
SMILESCC(C)COCCNCc1ccc(Br)cc1
InChIInChI=1S/C13H20BrNO/c1-11(2)10-16-8-7-15-9-12-3-5-13(14)6-4-12/h3-6,11,15H,7-10H2,1-2H3
InChIKeyXWQGJLZGVUTVSF-UHFFFAOYSA-N
MW286.21 g/mol
LogP3.21
Rot. Bonds7

About N-[(4-bromophenyl)methyl]-2-(2-methylpropoxy)ethanamine

N-[(4-bromophenyl)methyl]-2-(2-methylpropoxy)ethanamine (PubChem CID 115584556) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2-(2-methylpropoxy)ethanamine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2-(2-methylpropoxy)ethanamine
PubChem CID115584556
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC NameN-[(4-bromophenyl)methyl]-2-(2-methylpropoxy)ethanamine
SMILESCC(C)COCCNCc1ccc(Br)cc1
InChIInChI=1S/C13H20BrNO/c1-11(2)10-16-8-7-15-9-12-3-5-13(14)6-4-12/h3-6,11,15H,7-10H2,1-2H3
InChIKeyXWQGJLZGVUTVSF-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(4-bromophenyl)methyl]-2-(2-methylpropoxy)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106450220
N-[(3-bromo-4-chlorophenyl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115904861
N-[(5-bromo-2-pyridinyl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115626597
4-[[2-(2-methylpropoxy)ethylamino]methyl]benzene-1,2-diol
CID 113224468
2-[2-[(4-bromophenyl)methylamino]ethoxy]ethanol
CID 17155127
N-(furan-3-ylmethyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106450221
1-(4-bromophenyl)-N-[2-(2-methylpropoxy)ethyl]ethanamine
CID 115676446
N-[(4-bromophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine;hydrochloride
CID 115618403
N-(1H-indol-5-ylmethyl)-2-(2-methylpropoxy)ethanamine
CID 102912150
N-[(3-bromo-4-fluorophenyl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 28681813
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115584619
N-[(4-bromophenyl)methyl]-4-ethoxybutan-1-amine
CID 115584489

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2-(2-methylpropoxy)ethanamine?
The IUPAC name of N-[(4-bromophenyl)methyl]-2-(2-methylpropoxy)ethanamine (CID 115584556) is N-[(4-bromophenyl)methyl]-2-(2-methylpropoxy)ethanamine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2-(2-methylpropoxy)ethanamine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2-(2-methylpropoxy)ethanamine is CC(C)COCCNCc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2-(2-methylpropoxy)ethanamine?
The InChIKey is XWQGJLZGVUTVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-11(2)10-16-8-7-15-9-12-3-5-13(14)6-4-12/h3-6,11,15H,7-10H2,1-2H3.
What are the key properties of N-[(4-bromophenyl)methyl]-2-(2-methylpropoxy)ethanamine?
N-[(4-bromophenyl)methyl]-2-(2-methylpropoxy)ethanamine has a molecular weight of 286.21 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-2-(2-methylpropoxy)ethanamine is sourced from PubChem (CID 115584556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).