1-(5-bromo-2-methoxyphenyl)-3-ethoxy-N-ethylhexan-2-amine

C17H28BrNO2 — CID 116717971

IUPAC1-(5-bromo-2-methoxyphenyl)-3-ethoxy-N-ethylhexan-2-amine
SMILESCCCC(OCC)C(Cc1cc(Br)ccc1OC)NCC
InChIInChI=1S/C17H28BrNO2/c1-5-8-17(21-7-3)15(19-6-2)12-13-11-14(18)9-10-16(13)20-4/h9-11,15,17,19H,5-8,12H2,1-4H3
InChIKeyAWAHXFSPYIDKMS-UHFFFAOYSA-N
MW358.32 g/mol
LogP4.18
Rot. Bonds10

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

1-(5-bromo-2-methoxyphenyl)-3-ethoxy-N-ethylhexan-2-amine (PubChem CID 116717971) has the molecular formula C17H28BrNO2 and a molecular weight of 358.32 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-3-ethoxy-N-ethylhexan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-3-ethoxy-N-ethylhexan-2-amine
PubChem CID116717971
Molecular FormulaC17H28BrNO2
Molecular Weight358.32 g/mol
Exact Mass357.13
IUPAC Name1-(5-bromo-2-methoxyphenyl)-3-ethoxy-N-ethylhexan-2-amine
SMILESCCCC(OCC)C(Cc1cc(Br)ccc1OC)NCC
InChIInChI=1S/C17H28BrNO2/c1-5-8-17(21-7-3)15(19-6-2)12-13-11-14(18)9-10-16(13)20-4/h9-11,15,17,19H,5-8,12H2,1-4H3
InChIKeyAWAHXFSPYIDKMS-UHFFFAOYSA-N
XLogP4.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-3-ethoxy-N-ethylbutan-2-amine
CID 64533791
1-(5-chloro-2-methoxyphenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116717974
1-(4-bromo-2-fluorophenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116717956
1-(4-bromo-2-chlorophenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116718017
1-(5-bromo-2-methoxyphenyl)-3-methoxy-N-propylhexan-2-amine
CID 116719357
1-(5-bromo-2-methoxyphenyl)-N-ethyl-3,4-dimethylpentan-2-amine
CID 115817634
1-(4-bromophenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116718032
3-ethoxy-N-ethyl-1-(2-methoxy-5-methylphenyl)butan-2-amine
CID 64532794
2-[(5-bromo-2-methoxyphenyl)methyl]pentan-1-amine
CID 62504322
[1-(5-bromo-2-methoxyphenyl)-3-methoxypentan-2-yl]hydrazine
CID 105270725
3-ethoxy-1-(2-methoxy-5-methylphenyl)-N-propylpentan-2-amine
CID 116717260
2-(5-bromo-2-methoxyphenyl)-N-ethyl-1-(5-ethylfuran-2-yl)ethanamine
CID 115817184

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-3-ethoxy-N-ethylhexan-2-amine?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-3-ethoxy-N-ethylhexan-2-amine (CID 116717971) is 1-(5-bromo-2-methoxyphenyl)-3-ethoxy-N-ethylhexan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-3-ethoxy-N-ethylhexan-2-amine?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-3-ethoxy-N-ethylhexan-2-amine is CCCC(OCC)C(Cc1cc(Br)ccc1OC)NCC.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-3-ethoxy-N-ethylhexan-2-amine?
The InChIKey is AWAHXFSPYIDKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrNO2/c1-5-8-17(21-7-3)15(19-6-2)12-13-11-14(18)9-10-16(13)20-4/h9-11,15,17,19H,5-8,12H2,1-4H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-3-ethoxy-N-ethylhexan-2-amine?
1-(5-bromo-2-methoxyphenyl)-3-ethoxy-N-ethylhexan-2-amine has a molecular weight of 358.32 g/mol, XLogP of 4.18, 10 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-N-ethylhexan-2-amine is sourced from PubChem (CID 116717971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).