1-[5-bromo-2-(4-methylpentan-2-yloxy)phenyl]-N-ethylethanamine

C16H26BrNO — CID 82976432

IUPAC1-[5-bromo-2-(4-methylpentan-2-yloxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1cc(Br)ccc1OC(C)CC(C)C
InChIInChI=1S/C16H26BrNO/c1-6-18-13(5)15-10-14(17)7-8-16(15)19-12(4)9-11(2)3/h7-8,10-13,18H,6,9H2,1-5H3
InChIKeyOHGHCUDZJULVQR-UHFFFAOYSA-N
MW328.29 g/mol
LogP4.93
Rot. Bonds7

About 1-[5-bromo-2-(4-methylpentan-2-yloxy)phenyl]-N-ethylethanamine

1-[5-bromo-2-(4-methylpentan-2-yloxy)phenyl]-N-ethylethanamine (PubChem CID 82976432) has the molecular formula C16H26BrNO and a molecular weight of 328.29 g/mol. Its IUPAC name is 1-[5-bromo-2-(4-methylpentan-2-yloxy)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-(4-methylpentan-2-yloxy)phenyl]-N-ethylethanamine
PubChem CID82976432
Molecular FormulaC16H26BrNO
Molecular Weight328.29 g/mol
Exact Mass327.12
IUPAC Name1-[5-bromo-2-(4-methylpentan-2-yloxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1cc(Br)ccc1OC(C)CC(C)C
InChIInChI=1S/C16H26BrNO/c1-6-18-13(5)15-10-14(17)7-8-16(15)19-12(4)9-11(2)3/h7-8,10-13,18H,6,9H2,1-5H3
InChIKeyOHGHCUDZJULVQR-UHFFFAOYSA-N
XLogP4.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-methylpropanamide
CID 62392989
2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-propylpropanamide
CID 62392946
1-[5-bromo-2-(4-methylpentoxy)phenyl]-N-ethylethanamine
CID 82976012
2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-(2-methylpropyl)acetamide
CID 62393116
1-[5-bromo-2-(2,4-dimethylphenoxy)phenyl]-N-ethylethanamine
CID 82956465
1-[4-bromo-2-(1-ethoxypropan-2-yloxy)phenyl]-N-ethylethanamine
CID 103488796
3-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-2,2-dimethylpropanoic acid
CID 79628918
1-[5-bromo-2-(2,5-difluorophenoxy)phenyl]-N-ethylethanamine
CID 82953582
1-[5-bromo-2-(cyclopentylmethoxy)phenyl]-N-ethylethanamine
CID 63500340
2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]benzonitrile
CID 82955859
N-[1-[5-bromo-2-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethyl]propan-1-amine
CID 82976250
1-(5-bromo-2-octan-2-yloxyphenyl)-N-methylethanamine
CID 82975939

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(4-methylpentan-2-yloxy)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[5-bromo-2-(4-methylpentan-2-yloxy)phenyl]-N-ethylethanamine (CID 82976432) is 1-[5-bromo-2-(4-methylpentan-2-yloxy)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[5-bromo-2-(4-methylpentan-2-yloxy)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[5-bromo-2-(4-methylpentan-2-yloxy)phenyl]-N-ethylethanamine is CCNC(C)c1cc(Br)ccc1OC(C)CC(C)C.
What is the InChIKey of 1-[5-bromo-2-(4-methylpentan-2-yloxy)phenyl]-N-ethylethanamine?
The InChIKey is OHGHCUDZJULVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO/c1-6-18-13(5)15-10-14(17)7-8-16(15)19-12(4)9-11(2)3/h7-8,10-13,18H,6,9H2,1-5H3.
What are the key properties of 1-[5-bromo-2-(4-methylpentan-2-yloxy)phenyl]-N-ethylethanamine?
1-[5-bromo-2-(4-methylpentan-2-yloxy)phenyl]-N-ethylethanamine has a molecular weight of 328.29 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(4-methylpentan-2-yloxy)phenyl]-N-ethylethanamine is sourced from PubChem (CID 82976432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).