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

C16H26BrNO — CID 63399896

IUPAC1-(5-bromo-2-methoxyphenyl)-N-propylhexan-3-amine
SMILESCCCNC(CCC)CCc1cc(Br)ccc1OC
InChIInChI=1S/C16H26BrNO/c1-4-6-15(18-11-5-2)9-7-13-12-14(17)8-10-16(13)19-3/h8,10,12,15,18H,4-7,9,11H2,1-3H3
InChIKeyICUNUDGMCNXHMZ-UHFFFAOYSA-N
MW328.29 g/mol
LogP4.56
Rot. Bonds9

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

1-(5-bromo-2-methoxyphenyl)-N-propylhexan-3-amine (PubChem CID 63399896) has the molecular formula C16H26BrNO and a molecular weight of 328.29 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-N-propylhexan-3-amine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-N-propylhexan-3-amine
PubChem CID63399896
Molecular FormulaC16H26BrNO
Molecular Weight328.29 g/mol
Exact Mass327.12
IUPAC Name1-(5-bromo-2-methoxyphenyl)-N-propylhexan-3-amine
SMILESCCCNC(CCC)CCc1cc(Br)ccc1OC
InChIInChI=1S/C16H26BrNO/c1-4-6-15(18-11-5-2)9-7-13-12-14(17)8-10-16(13)19-3/h8,10,12,15,18H,4-7,9,11H2,1-3H3
InChIKeyICUNUDGMCNXHMZ-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-5-methylphenyl)-N-propylhexan-3-amine
CID 62160648
1-(5-bromo-2-methoxyphenyl)-5,5,5-trifluoro-N-propylpentan-2-amine
CID 79959284
1-(5-bromo-2-methoxyphenyl)-3-ethylsulfanyl-N-propylpropan-2-amine
CID 65127733
1-(5-bromo-2-methoxyphenyl)-3-methoxy-N-propylhexan-2-amine
CID 116719357
(2R)-4-(5-bromo-2-methoxyphenyl)butan-2-amine
CID 94231283
1-(5-bromo-2-methoxyphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 62501357
4-bromo-2-[4-(5-bromo-2-methoxyphenyl)butyl]-1-methoxybenzene
CID 10693794
4-bromo-2-(3-chloro-4-methoxybutyl)-1-methoxybenzene
CID 62319479
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
N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 110788017
2-[(5-bromo-2-methoxyphenyl)methyl]pentan-1-amine
CID 62504322

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-N-propylhexan-3-amine?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-N-propylhexan-3-amine (CID 63399896) is 1-(5-bromo-2-methoxyphenyl)-N-propylhexan-3-amine.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-N-propylhexan-3-amine?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-N-propylhexan-3-amine is CCCNC(CCC)CCc1cc(Br)ccc1OC.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-N-propylhexan-3-amine?
The InChIKey is ICUNUDGMCNXHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO/c1-4-6-15(18-11-5-2)9-7-13-12-14(17)8-10-16(13)19-3/h8,10,12,15,18H,4-7,9,11H2,1-3H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-N-propylhexan-3-amine?
1-(5-bromo-2-methoxyphenyl)-N-propylhexan-3-amine has a molecular weight of 328.29 g/mol, XLogP of 4.56, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)-N-propylhexan-3-amine is sourced from PubChem (CID 63399896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).