1-(5-bromo-2-methoxyphenyl)-3-methoxy-N-propylhexan-2-amine

C17H28BrNO2 — CID 116719357

IUPAC1-(5-bromo-2-methoxyphenyl)-3-methoxy-N-propylhexan-2-amine
SMILESCCCNC(Cc1cc(Br)ccc1OC)C(CCC)OC
InChIInChI=1S/C17H28BrNO2/c1-5-7-17(21-4)15(19-10-6-2)12-13-11-14(18)8-9-16(13)20-3/h8-9,11,15,17,19H,5-7,10,12H2,1-4H3
InChIKeyGOZYIWCLBVDNDP-UHFFFAOYSA-N
MW358.32 g/mol
LogP4.18
Rot. Bonds10

About 1-(5-bromo-2-methoxyphenyl)-3-methoxy-N-propylhexan-2-amine

1-(5-bromo-2-methoxyphenyl)-3-methoxy-N-propylhexan-2-amine (PubChem CID 116719357) has the molecular formula C17H28BrNO2 and a molecular weight of 358.32 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-3-methoxy-N-propylhexan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-3-methoxy-N-propylhexan-2-amine
PubChem CID116719357
Molecular FormulaC17H28BrNO2
Molecular Weight358.32 g/mol
Exact Mass357.13
IUPAC Name1-(5-bromo-2-methoxyphenyl)-3-methoxy-N-propylhexan-2-amine
SMILESCCCNC(Cc1cc(Br)ccc1OC)C(CCC)OC
InChIInChI=1S/C17H28BrNO2/c1-5-7-17(21-4)15(19-10-6-2)12-13-11-14(18)8-9-16(13)20-3/h8-9,11,15,17,19H,5-7,10,12H2,1-4H3
InChIKeyGOZYIWCLBVDNDP-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-ethylhexan-2-amine
CID 116717971
1-(5-bromo-2-methoxyphenyl)-3-cyclopropyl-N-propylbutan-2-amine
CID 115817611
1-(5-bromo-2-methoxyphenyl)-3-methylsulfonyl-N-propylbutan-2-amine
CID 115816951
[1-(5-bromo-2-methoxyphenyl)-3-methoxypentan-2-yl]hydrazine
CID 105270725
1-(5-bromo-2-methoxyphenyl)-N-propylhexan-3-amine
CID 63399896
1-(5-bromo-2-methoxyphenyl)-5,5,5-trifluoro-N-propylpentan-2-amine
CID 79959284
1-(4-bromo-2-chlorophenyl)-3-methoxy-N-propylpentan-2-amine
CID 116716006
1-(5-bromo-2-methoxyphenyl)-3-ethylsulfanyl-N-propylpropan-2-amine
CID 65127733
1-(5-bromo-2-methoxyphenyl)-3-ethoxy-N-ethylbutan-2-amine
CID 64533791
1-(5-bromo-2-methoxyphenyl)-N-ethyl-3,4-dimethylpentan-2-amine
CID 115817634
2-[(5-bromo-2-methoxyphenyl)methyl]pentan-1-amine
CID 62504322
3-(5-chloro-2-methoxyphenyl)-1,1-dimethoxy-N-propylpropan-2-amine
CID 79492881

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-3-methoxy-N-propylhexan-2-amine?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-3-methoxy-N-propylhexan-2-amine (CID 116719357) is 1-(5-bromo-2-methoxyphenyl)-3-methoxy-N-propylhexan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-3-methoxy-N-propylhexan-2-amine?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-3-methoxy-N-propylhexan-2-amine is CCCNC(Cc1cc(Br)ccc1OC)C(CCC)OC.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-3-methoxy-N-propylhexan-2-amine?
The InChIKey is GOZYIWCLBVDNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrNO2/c1-5-7-17(21-4)15(19-10-6-2)12-13-11-14(18)8-9-16(13)20-3/h8-9,11,15,17,19H,5-7,10,12H2,1-4H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-3-methoxy-N-propylhexan-2-amine?
1-(5-bromo-2-methoxyphenyl)-3-methoxy-N-propylhexan-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-methoxy-N-propylhexan-2-amine is sourced from PubChem (CID 116719357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).