1-(2-bromo-5-methoxyphenyl)-N-propylhex-5-en-1-amine

C16H24BrNO — CID 105153151

IUPAC1-(2-bromo-5-methoxyphenyl)-N-propylhex-5-en-1-amine
SMILESC=CCCCC(NCCC)c1cc(OC)ccc1Br
InChIInChI=1S/C16H24BrNO/c1-4-6-7-8-16(18-11-5-2)14-12-13(19-3)9-10-15(14)17/h4,9-10,12,16,18H,1,5-8,11H2,2-3H3
InChIKeyOBMAWWKSPZQLGS-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.85
Rot. Bonds9

About 1-(2-bromo-5-methoxyphenyl)-N-propylhex-5-en-1-amine

1-(2-bromo-5-methoxyphenyl)-N-propylhex-5-en-1-amine (PubChem CID 105153151) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-N-propylhex-5-en-1-amine.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-N-propylhex-5-en-1-amine
PubChem CID105153151
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name1-(2-bromo-5-methoxyphenyl)-N-propylhex-5-en-1-amine
SMILESC=CCCCC(NCCC)c1cc(OC)ccc1Br
InChIInChI=1S/C16H24BrNO/c1-4-6-7-8-16(18-11-5-2)14-12-13(19-3)9-10-15(14)17/h4,9-10,12,16,18H,1,5-8,11H2,2-3H3
InChIKeyOBMAWWKSPZQLGS-UHFFFAOYSA-N
XLogP4.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-dimethoxyphenyl)-N-propylhex-5-en-1-amine
CID 104987020
1-(2-bromophenyl)-N-propyloct-7-en-1-amine
CID 107008962
1-(3-bromo-4-fluorophenyl)-N-propylhex-5-en-1-amine
CID 82801652
1-[4-bromo-3-(trifluoromethyl)phenyl]-N-propylhex-5-en-1-amine
CID 104986677
1-(2-bromo-5-methoxyphenyl)-N-methyldecan-1-amine
CID 105124484
N-[1-(2-bromo-5-methoxyphenyl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine
CID 105139266
1-(2-bromo-4-methoxyphenyl)-N-propylpropan-1-amine
CID 60787472
1-(5-bromo-2-methylphenyl)-N-propyloct-7-en-1-amine
CID 107011647
1-(2,4-dimethoxyphenyl)hex-5-enylhydrazine
CID 105311306
1-(2,5-dibromophenyl)-N-ethyloct-7-en-1-amine
CID 107012011
N-[1-(2-bromo-5-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105169193
1-(2,5-dimethoxyphenyl)-3-methoxy-N-propylpropan-1-amine
CID 62801169

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-N-propylhex-5-en-1-amine?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-N-propylhex-5-en-1-amine (CID 105153151) is 1-(2-bromo-5-methoxyphenyl)-N-propylhex-5-en-1-amine.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-N-propylhex-5-en-1-amine?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-N-propylhex-5-en-1-amine is C=CCCCC(NCCC)c1cc(OC)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-N-propylhex-5-en-1-amine?
The InChIKey is OBMAWWKSPZQLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-4-6-7-8-16(18-11-5-2)14-12-13(19-3)9-10-15(14)17/h4,9-10,12,16,18H,1,5-8,11H2,2-3H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-N-propylhex-5-en-1-amine?
1-(2-bromo-5-methoxyphenyl)-N-propylhex-5-en-1-amine has a molecular weight of 326.28 g/mol, XLogP of 4.85, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)-N-propylhex-5-en-1-amine is sourced from PubChem (CID 105153151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).