1-(2-bromo-5-methoxyphenyl)-N-ethyl-3-methoxypentan-2-amine

C15H24BrNO2 — CID 116715608

IUPAC1-(2-bromo-5-methoxyphenyl)-N-ethyl-3-methoxypentan-2-amine
SMILESCCNC(Cc1cc(OC)ccc1Br)C(CC)OC
InChIInChI=1S/C15H24BrNO2/c1-5-15(19-4)14(17-6-2)10-11-9-12(18-3)7-8-13(11)16/h7-9,14-15,17H,5-6,10H2,1-4H3
InChIKeyZBTHHUWAELRRNV-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.40
Rot. Bonds8

About 1-(2-bromo-5-methoxyphenyl)-N-ethyl-3-methoxypentan-2-amine

1-(2-bromo-5-methoxyphenyl)-N-ethyl-3-methoxypentan-2-amine (PubChem CID 116715608) has the molecular formula C15H24BrNO2 and a molecular weight of 330.27 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-N-ethyl-3-methoxypentan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-N-ethyl-3-methoxypentan-2-amine
PubChem CID116715608
Molecular FormulaC15H24BrNO2
Molecular Weight330.27 g/mol
Exact Mass329.10
IUPAC Name1-(2-bromo-5-methoxyphenyl)-N-ethyl-3-methoxypentan-2-amine
SMILESCCNC(Cc1cc(OC)ccc1Br)C(CC)OC
InChIInChI=1S/C15H24BrNO2/c1-5-15(19-4)14(17-6-2)10-11-9-12(18-3)7-8-13(11)16/h7-9,14-15,17H,5-6,10H2,1-4H3
InChIKeyZBTHHUWAELRRNV-UHFFFAOYSA-N
XLogP3.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-5-methoxyphenyl)-N,3-diethylheptan-2-amine
CID 115862221
1-(2-bromo-5-methoxyphenyl)-N-ethylpropan-2-amine
CID 65325217
1-(2-bromo-5-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine
CID 65325556
1-(2-bromo-5-methoxyphenyl)-N-ethylpentan-2-amine
CID 65325458
2-(2-bromo-5-methoxyphenyl)-1-(4-bromothiophen-2-yl)-N-ethylethanamine
CID 65325618
2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 65325071
2-[(2-bromo-5-methoxyphenyl)methyl]-N-propan-2-ylbutan-1-amine
CID 65326628
2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 115862379
1-(3-bicyclo[3.1.0]hexanyl)-2-(2-bromo-5-methoxyphenyl)-N-ethylethanamine
CID 115862199
2-(2-bromo-5-methoxyphenyl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine
CID 107004487
1-(2-bromo-5-methoxyphenyl)-N,3-dimethylhexan-2-amine
CID 115862124
1-(2-bromo-5-methoxyphenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine
CID 65325525

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-N-ethyl-3-methoxypentan-2-amine?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-N-ethyl-3-methoxypentan-2-amine (CID 116715608) is 1-(2-bromo-5-methoxyphenyl)-N-ethyl-3-methoxypentan-2-amine.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-N-ethyl-3-methoxypentan-2-amine?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-N-ethyl-3-methoxypentan-2-amine is CCNC(Cc1cc(OC)ccc1Br)C(CC)OC.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-N-ethyl-3-methoxypentan-2-amine?
The InChIKey is ZBTHHUWAELRRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO2/c1-5-15(19-4)14(17-6-2)10-11-9-12(18-3)7-8-13(11)16/h7-9,14-15,17H,5-6,10H2,1-4H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-N-ethyl-3-methoxypentan-2-amine?
1-(2-bromo-5-methoxyphenyl)-N-ethyl-3-methoxypentan-2-amine has a molecular weight of 330.27 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)-N-ethyl-3-methoxypentan-2-amine is sourced from PubChem (CID 116715608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).