1-(5-bromo-2-methoxyphenyl)-3-ethoxy-3-ethylpentan-2-amine

C16H26BrNO2 — CID 116759645

IUPAC1-(5-bromo-2-methoxyphenyl)-3-ethoxy-3-ethylpentan-2-amine
SMILESCCOC(CC)(CC)C(N)Cc1cc(Br)ccc1OC
InChIInChI=1S/C16H26BrNO2/c1-5-16(6-2,20-7-3)15(18)11-12-10-13(17)8-9-14(12)19-4/h8-10,15H,5-7,11,18H2,1-4H3
InChIKeyCSZFTDYEZYIKNP-UHFFFAOYSA-N
MW344.29 g/mol
LogP3.92
Rot. Bonds8

About 1-(5-bromo-2-methoxyphenyl)-3-ethoxy-3-ethylpentan-2-amine

1-(5-bromo-2-methoxyphenyl)-3-ethoxy-3-ethylpentan-2-amine (PubChem CID 116759645) has the molecular formula C16H26BrNO2 and a molecular weight of 344.29 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-3-ethoxy-3-ethylpentan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-3-ethoxy-3-ethylpentan-2-amine
PubChem CID116759645
Molecular FormulaC16H26BrNO2
Molecular Weight344.29 g/mol
Exact Mass343.11
IUPAC Name1-(5-bromo-2-methoxyphenyl)-3-ethoxy-3-ethylpentan-2-amine
SMILESCCOC(CC)(CC)C(N)Cc1cc(Br)ccc1OC
InChIInChI=1S/C16H26BrNO2/c1-5-16(6-2,20-7-3)15(18)11-12-10-13(17)8-9-14(12)19-4/h8-10,15H,5-7,11,18H2,1-4H3
InChIKeyCSZFTDYEZYIKNP-UHFFFAOYSA-N
XLogP3.92
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-chlorophenyl)-3-ethoxy-3-ethylpentan-2-amine
CID 116759497
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128
(2R)-4-(5-bromo-2-methoxyphenyl)butan-2-amine
CID 94231283
1-(3-bromophenyl)-3-ethoxy-3-ethylpentan-2-amine
CID 116759577
1-(5-bromo-2-methoxyphenyl)-4,4-dimethylpentan-2-amine
CID 63892579
1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817615
3-ethoxy-1-(2-methoxy-5-methylphenyl)-3-methylpentan-2-amine
CID 116758615
2-[(5-bromo-2-methoxyphenyl)methyl]butan-1-amine
CID 62505917
3-(5-bromo-2-methoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 79092611
2-[(5-bromo-2-methoxyphenyl)methyl]pentan-1-amine
CID 62504322
1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817163
3-amino-1-(5-bromo-2-methoxyphenyl)pentan-2-one
CID 116584145

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-3-ethoxy-3-ethylpentan-2-amine?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-3-ethoxy-3-ethylpentan-2-amine (CID 116759645) is 1-(5-bromo-2-methoxyphenyl)-3-ethoxy-3-ethylpentan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-3-ethoxy-3-ethylpentan-2-amine?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-3-ethoxy-3-ethylpentan-2-amine is CCOC(CC)(CC)C(N)Cc1cc(Br)ccc1OC.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-3-ethoxy-3-ethylpentan-2-amine?
The InChIKey is CSZFTDYEZYIKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO2/c1-5-16(6-2,20-7-3)15(18)11-12-10-13(17)8-9-14(12)19-4/h8-10,15H,5-7,11,18H2,1-4H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-3-ethoxy-3-ethylpentan-2-amine?
1-(5-bromo-2-methoxyphenyl)-3-ethoxy-3-ethylpentan-2-amine has a molecular weight of 344.29 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)-3-ethoxy-3-ethylpentan-2-amine is sourced from PubChem (CID 116759645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).