4-(5-bromo-2-ethoxyphenyl)-N,2,2-trimethylbutan-1-amine

C15H24BrNO — CID 65306198

IUPAC4-(5-bromo-2-ethoxyphenyl)-N,2,2-trimethylbutan-1-amine
SMILESCCOc1ccc(Br)cc1CCC(C)(C)CNC
InChIInChI=1S/C15H24BrNO/c1-5-18-14-7-6-13(16)10-12(14)8-9-15(2,3)11-17-4/h6-7,10,17H,5,8-9,11H2,1-4H3
InChIKeyWTHISOGLJXQRGW-UHFFFAOYSA-N
MW314.27 g/mol
LogP4.03
Rot. Bonds7

About 4-(5-bromo-2-ethoxyphenyl)-N,2,2-trimethylbutan-1-amine

4-(5-bromo-2-ethoxyphenyl)-N,2,2-trimethylbutan-1-amine (PubChem CID 65306198) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is 4-(5-bromo-2-ethoxyphenyl)-N,2,2-trimethylbutan-1-amine.

Molecular Properties

Compound Name4-(5-bromo-2-ethoxyphenyl)-N,2,2-trimethylbutan-1-amine
PubChem CID65306198
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC Name4-(5-bromo-2-ethoxyphenyl)-N,2,2-trimethylbutan-1-amine
SMILESCCOc1ccc(Br)cc1CCC(C)(C)CNC
InChIInChI=1S/C15H24BrNO/c1-5-18-14-7-6-13(16)10-12(14)8-9-15(2,3)11-17-4/h6-7,10,17H,5,8-9,11H2,1-4H3
InChIKeyWTHISOGLJXQRGW-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-bromo-2-ethoxyphenyl)butan-1-amine
CID 65305852
N-[(5-bromo-2-ethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17292192
N-[(5-bromo-2-ethoxyphenyl)methyl]-N-ethylethanamine
CID 940103
1-[2-(5-bromo-2-ethoxyphenyl)ethyl]piperazine
CID 82263455
5-(5-bromo-2-ethoxyphenyl)-N-(2-methylpropyl)pentan-1-amine
CID 65305802
4-(2,5-dibromo-4-methylphenyl)-N,2,2-trimethylbutan-1-amine
CID 81470717
N-[(5-bromo-2-ethoxyphenyl)methyl]-2-ethylaniline
CID 126121511
N-[(5-bromo-2-ethoxyphenyl)methyl]-2-methylpropan-1-amine
CID 973105
4-(2,5-diethylphenyl)-N,2,2-trimethylbutan-1-amine
CID 65306070
4-bromo-2-(4-chloro-2-methylbutan-2-yl)-1-ethoxybenzene
CID 79838502
3-(5-bromo-2-ethoxyphenyl)-N-ethyl-3-methylbutan-1-amine
CID 79829866
5-[(5-bromo-2-ethoxyphenyl)methylamino]benzimidazol-2-one
CID 73362843

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-ethoxyphenyl)-N,2,2-trimethylbutan-1-amine?
The IUPAC name of 4-(5-bromo-2-ethoxyphenyl)-N,2,2-trimethylbutan-1-amine (CID 65306198) is 4-(5-bromo-2-ethoxyphenyl)-N,2,2-trimethylbutan-1-amine.
What is the SMILES notation for 4-(5-bromo-2-ethoxyphenyl)-N,2,2-trimethylbutan-1-amine?
The canonical SMILES for 4-(5-bromo-2-ethoxyphenyl)-N,2,2-trimethylbutan-1-amine is CCOc1ccc(Br)cc1CCC(C)(C)CNC.
What is the InChIKey of 4-(5-bromo-2-ethoxyphenyl)-N,2,2-trimethylbutan-1-amine?
The InChIKey is WTHISOGLJXQRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-5-18-14-7-6-13(16)10-12(14)8-9-15(2,3)11-17-4/h6-7,10,17H,5,8-9,11H2,1-4H3.
What are the key properties of 4-(5-bromo-2-ethoxyphenyl)-N,2,2-trimethylbutan-1-amine?
4-(5-bromo-2-ethoxyphenyl)-N,2,2-trimethylbutan-1-amine has a molecular weight of 314.27 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-ethoxyphenyl)-N,2,2-trimethylbutan-1-amine is sourced from PubChem (CID 65306198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).