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

C15H24BrNO — CID 65325556

IUPAC1-(2-bromo-5-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine
SMILESCCNC(Cc1cc(OC)ccc1Br)C(C)(C)C
InChIInChI=1S/C15H24BrNO/c1-6-17-14(15(2,3)4)10-11-9-12(18-5)7-8-13(11)16/h7-9,14,17H,6,10H2,1-5H3
InChIKeyHNHZYABVXMTOLN-UHFFFAOYSA-N
MW314.27 g/mol
LogP4.02
Rot. Bonds5

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

1-(2-bromo-5-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine (PubChem CID 65325556) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine
PubChem CID65325556
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC Name1-(2-bromo-5-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine
SMILESCCNC(Cc1cc(OC)ccc1Br)C(C)(C)C
InChIInChI=1S/C15H24BrNO/c1-6-17-14(15(2,3)4)10-11-9-12(18-5)7-8-13(11)16/h7-9,14,17H,6,10H2,1-5H3
InChIKeyHNHZYABVXMTOLN-UHFFFAOYSA-N
XLogP4.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-methoxyphenyl)-N-ethyl-4,4-dimethylpentan-3-amine
CID 65322935
1-(2-bromo-5-methoxyphenyl)-N-ethylpropan-2-amine
CID 65325217
1-(2-bromo-5-methoxyphenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine
CID 65325525
1-(2-bromo-5-methoxyphenyl)-N-ethylpentan-2-amine
CID 65325458
1-(2-bromo-5-methoxyphenyl)-N-ethyl-3-methoxypentan-2-amine
CID 116715608
1-bromo-2-[2-(chloromethyl)-3,3-dimethylbutyl]-4-methoxybenzene
CID 83139272
[1-(2-bromo-5-methoxyphenyl)-3-ethoxy-3-ethylpentan-2-yl]hydrazine
CID 105275091
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
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

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine (CID 65325556) is 1-(2-bromo-5-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine is CCNC(Cc1cc(OC)ccc1Br)C(C)(C)C.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine?
The InChIKey is HNHZYABVXMTOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-6-17-14(15(2,3)4)10-11-9-12(18-5)7-8-13(11)16/h7-9,14,17H,6,10H2,1-5H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine?
1-(2-bromo-5-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine has a molecular weight of 314.27 g/mol, XLogP of 4.02, 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-ethyl-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 65325556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).