1-(2-bromo-5-methoxyphenyl)-N-ethylpropan-2-amine

C12H18BrNO — CID 65325217

IUPAC1-(2-bromo-5-methoxyphenyl)-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1cc(OC)ccc1Br
InChIInChI=1S/C12H18BrNO/c1-4-14-9(2)7-10-8-11(15-3)5-6-12(10)13/h5-6,8-9,14H,4,7H2,1-3H3
InChIKeyONNHBWFXGCCNCX-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.00
Rot. Bonds5

About 1-(2-bromo-5-methoxyphenyl)-N-ethylpropan-2-amine

1-(2-bromo-5-methoxyphenyl)-N-ethylpropan-2-amine (PubChem CID 65325217) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-N-ethylpropan-2-amine
PubChem CID65325217
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name1-(2-bromo-5-methoxyphenyl)-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1cc(OC)ccc1Br
InChIInChI=1S/C12H18BrNO/c1-4-14-9(2)7-10-8-11(15-3)5-6-12(10)13/h5-6,8-9,14H,4,7H2,1-3H3
InChIKeyONNHBWFXGCCNCX-UHFFFAOYSA-N
XLogP3.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
1-(2-bromo-5-methoxyphenyl)-N-ethyl-3-methoxypentan-2-amine
CID 116715608
2-(2-bromo-5-methoxyphenyl)-1-(4-bromothiophen-2-yl)-N-ethylethanamine
CID 65325618
2-[(2-bromo-5-methoxyphenyl)methyl]-N-propan-2-ylbutan-1-amine
CID 65326628
2-(2-bromo-5-methoxyphenyl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine
CID 107004487
1-(3-bicyclo[3.1.0]hexanyl)-2-(2-bromo-5-methoxyphenyl)-N-ethylethanamine
CID 115862199
1-(2-bromo-5-methoxyphenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine
CID 65325525
2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 65325071
2-[(2-bromo-5-methoxyphenyl)methyl]-N-ethyl-4-methylpentan-1-amine
CID 65327017
1-(2-bromo-5-methoxyphenyl)-N,3-diethylheptan-2-amine
CID 115862221
2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 115862379

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-N-ethylpropan-2-amine?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-N-ethylpropan-2-amine (CID 65325217) is 1-(2-bromo-5-methoxyphenyl)-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-N-ethylpropan-2-amine?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-N-ethylpropan-2-amine is CCNC(C)Cc1cc(OC)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-N-ethylpropan-2-amine?
The InChIKey is ONNHBWFXGCCNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-4-14-9(2)7-10-8-11(15-3)5-6-12(10)13/h5-6,8-9,14H,4,7H2,1-3H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-N-ethylpropan-2-amine?
1-(2-bromo-5-methoxyphenyl)-N-ethylpropan-2-amine has a molecular weight of 272.19 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)-N-ethylpropan-2-amine is sourced from PubChem (CID 65325217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).