2-(2-bromophenyl)-N-methyl-2-(3-phenylpropoxy)ethanamine

C18H22BrNO — CID 62109237

IUPAC2-(2-bromophenyl)-N-methyl-2-(3-phenylpropoxy)ethanamine
SMILESCNCC(OCCCc1ccccc1)c1ccccc1Br
InChIInChI=1S/C18H22BrNO/c1-20-14-18(16-11-5-6-12-17(16)19)21-13-7-10-15-8-3-2-4-9-15/h2-6,8-9,11-12,18,20H,7,10,13-14H2,1H3
InChIKeyHZVUNXDBBIJSER-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.36
Rot. Bonds8

About 2-(2-bromophenyl)-N-methyl-2-(3-phenylpropoxy)ethanamine

2-(2-bromophenyl)-N-methyl-2-(3-phenylpropoxy)ethanamine (PubChem CID 62109237) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-methyl-2-(3-phenylpropoxy)ethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-methyl-2-(3-phenylpropoxy)ethanamine
PubChem CID62109237
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name2-(2-bromophenyl)-N-methyl-2-(3-phenylpropoxy)ethanamine
SMILESCNCC(OCCCc1ccccc1)c1ccccc1Br
InChIInChI=1S/C18H22BrNO/c1-20-14-18(16-11-5-6-12-17(16)19)21-13-7-10-15-8-3-2-4-9-15/h2-6,8-9,11-12,18,20H,7,10,13-14H2,1H3
InChIKeyHZVUNXDBBIJSER-UHFFFAOYSA-N
XLogP4.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromophenyl)-N-methyl-2-(4-methylpentoxy)ethanamine
CID 55036243
1-bromo-2-[2-bromo-1-(3-phenylpropoxy)ethyl]benzene
CID 63474244
2-(2-bromophenyl)-N-methyl-2-(4,4,4-trifluorobutoxy)ethanamine
CID 82792734
2-(2-bromophenyl)-2-methoxy-N-methylethanamine
CID 62106932
2-(2-bromophenyl)-N-methyl-2-propan-2-yloxyethanamine
CID 62107661
N-methyl-2-(3-phenylpropoxy)pentan-1-amine
CID 83045802
2-(2-bromophenyl)-2-cycloheptyloxy-N-methylethanamine
CID 62109896
2-(2-bromophenyl)-N-ethyl-2-(2-propan-2-yloxyethoxy)ethanamine
CID 62108481
2-(2-bromophenyl)-2-(3,5-dimethylcyclohexyl)oxy-N-methylethanamine
CID 64732436
2-hexoxy-N-methyl-2-phenylethanamine
CID 55036294
N-methyl-2-(2-methylphenyl)-2-propoxyethanamine
CID 62106404
2-[(2-bromophenyl)methoxy]-2-(2-fluorophenyl)-N-methylethanamine
CID 82831669

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-methyl-2-(3-phenylpropoxy)ethanamine?
The IUPAC name of 2-(2-bromophenyl)-N-methyl-2-(3-phenylpropoxy)ethanamine (CID 62109237) is 2-(2-bromophenyl)-N-methyl-2-(3-phenylpropoxy)ethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-N-methyl-2-(3-phenylpropoxy)ethanamine?
The canonical SMILES for 2-(2-bromophenyl)-N-methyl-2-(3-phenylpropoxy)ethanamine is CNCC(OCCCc1ccccc1)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-N-methyl-2-(3-phenylpropoxy)ethanamine?
The InChIKey is HZVUNXDBBIJSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-20-14-18(16-11-5-6-12-17(16)19)21-13-7-10-15-8-3-2-4-9-15/h2-6,8-9,11-12,18,20H,7,10,13-14H2,1H3.
What are the key properties of 2-(2-bromophenyl)-N-methyl-2-(3-phenylpropoxy)ethanamine?
2-(2-bromophenyl)-N-methyl-2-(3-phenylpropoxy)ethanamine has a molecular weight of 348.28 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-methyl-2-(3-phenylpropoxy)ethanamine is sourced from PubChem (CID 62109237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).