2-(2-bromophenyl)-N-methyl-2-(4-methylpentoxy)ethanamine

C15H24BrNO — CID 55036243

IUPAC2-(2-bromophenyl)-N-methyl-2-(4-methylpentoxy)ethanamine
SMILESCNCC(OCCCC(C)C)c1ccccc1Br
InChIInChI=1S/C15H24BrNO/c1-12(2)7-6-10-18-15(11-17-3)13-8-4-5-9-14(13)16/h4-5,8-9,12,15,17H,6-7,10-11H2,1-3H3
InChIKeyITBXHAOKIXCOFV-UHFFFAOYSA-N
MW314.27 g/mol
LogP4.16
Rot. Bonds8

About 2-(2-bromophenyl)-N-methyl-2-(4-methylpentoxy)ethanamine

2-(2-bromophenyl)-N-methyl-2-(4-methylpentoxy)ethanamine (PubChem CID 55036243) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-methyl-2-(4-methylpentoxy)ethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-methyl-2-(4-methylpentoxy)ethanamine
PubChem CID55036243
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC Name2-(2-bromophenyl)-N-methyl-2-(4-methylpentoxy)ethanamine
SMILESCNCC(OCCCC(C)C)c1ccccc1Br
InChIInChI=1S/C15H24BrNO/c1-12(2)7-6-10-18-15(11-17-3)13-8-4-5-9-14(13)16/h4-5,8-9,12,15,17H,6-7,10-11H2,1-3H3
InChIKeyITBXHAOKIXCOFV-UHFFFAOYSA-N
XLogP4.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 54.16
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-(3-phenylpropoxy)ethanamine
CID 62109237
2-(2-bromophenyl)-N-methyl-2-(4,4,4-trifluorobutoxy)ethanamine
CID 82792734
2-(2-bromophenyl)-N-methyl-2-propan-2-yloxyethanamine
CID 62107661
2-(2-bromophenyl)-2-methoxy-N-methylethanamine
CID 62106932
2-(2-methoxyphenyl)-N-methyl-2-(3-methylbutoxy)ethanamine
CID 62106009
2-(2-bromophenyl)-N-methyl-4-propan-2-yloxybutan-1-amine
CID 79449527
2-(2-bromophenyl)-N-ethyl-2-(2-propan-2-yloxyethoxy)ethanamine
CID 62108481
N-[2-(2-chlorophenyl)-2-(4-methylpentoxy)ethyl]propan-1-amine
CID 63475898
N-[1-(2-bromophenyl)ethyl]-7-methyloctan-1-amine
CID 43103321
2-(2-bromophenyl)-2-cycloheptyloxy-N-methylethanamine
CID 62109896
2-(2-bromophenyl)-N-methylundecan-1-amine
CID 79448779
2-(2-bromophenyl)-2-(3,5-dimethylcyclohexyl)oxy-N-methylethanamine
CID 64732436

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-methyl-2-(4-methylpentoxy)ethanamine?
The IUPAC name of 2-(2-bromophenyl)-N-methyl-2-(4-methylpentoxy)ethanamine (CID 55036243) is 2-(2-bromophenyl)-N-methyl-2-(4-methylpentoxy)ethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-N-methyl-2-(4-methylpentoxy)ethanamine?
The canonical SMILES for 2-(2-bromophenyl)-N-methyl-2-(4-methylpentoxy)ethanamine is CNCC(OCCCC(C)C)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-N-methyl-2-(4-methylpentoxy)ethanamine?
The InChIKey is ITBXHAOKIXCOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-12(2)7-6-10-18-15(11-17-3)13-8-4-5-9-14(13)16/h4-5,8-9,12,15,17H,6-7,10-11H2,1-3H3.
What are the key properties of 2-(2-bromophenyl)-N-methyl-2-(4-methylpentoxy)ethanamine?
2-(2-bromophenyl)-N-methyl-2-(4-methylpentoxy)ethanamine has a molecular weight of 314.27 g/mol, XLogP of 4.16, 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-(4-methylpentoxy)ethanamine is sourced from PubChem (CID 55036243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).