1-[2-(2-bromoprop-2-enoxy)-4-propoxyphenyl]propan-2-amine

C15H22BrNO2 — CID 54930737

IUPAC1-[2-(2-bromoprop-2-enoxy)-4-propoxyphenyl]propan-2-amine
SMILESC=C(Br)COc1cc(OCCC)ccc1CC(C)N
InChIInChI=1S/C15H22BrNO2/c1-4-7-18-14-6-5-13(8-12(3)17)15(9-14)19-10-11(2)16/h5-6,9,12H,2,4,7-8,10,17H2,1,3H3
InChIKeyINXIGTQOQTXBBL-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.65
Rot. Bonds8

About 1-[2-(2-bromoprop-2-enoxy)-4-propoxyphenyl]propan-2-amine

1-[2-(2-bromoprop-2-enoxy)-4-propoxyphenyl]propan-2-amine (PubChem CID 54930737) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 1-[2-(2-bromoprop-2-enoxy)-4-propoxyphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(2-bromoprop-2-enoxy)-4-propoxyphenyl]propan-2-amine
PubChem CID54930737
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name1-[2-(2-bromoprop-2-enoxy)-4-propoxyphenyl]propan-2-amine
SMILESC=C(Br)COc1cc(OCCC)ccc1CC(C)N
InChIInChI=1S/C15H22BrNO2/c1-4-7-18-14-6-5-13(8-12(3)17)15(9-14)19-10-11(2)16/h5-6,9,12H,2,4,7-8,10,17H2,1,3H3
InChIKeyINXIGTQOQTXBBL-UHFFFAOYSA-N
XLogP3.65
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-bromoprop-2-enoxy)-4-propoxyphenyl]butan-2-amine
CID 60906344
1-(2-butoxy-4-propoxyphenyl)propan-2-amine
CID 54930871
1-[2-(2-methoxyethoxy)-4-propoxyphenyl]propan-2-amine
CID 60906244
N-[[2-(2-bromoprop-2-enoxy)-4-propoxyphenyl]methyl]-2-methylpropan-2-amine
CID 63501385
1-(2-but-2-ynoxy-4-propoxyphenyl)propan-2-amine
CID 62311403
2-(2-bromoprop-2-enoxy)-4-propoxybenzaldehyde
CID 60874336
1-[2-(4-propoxyphenoxy)phenyl]propan-2-amine
CID 63815038
2-[2-(2-aminoethyl)-5-propoxyphenoxy]acetamide
CID 54931076
(1R)-1-[2-(2-bromoprop-2-enoxy)-4-methoxyphenyl]ethanamine
CID 82001145
1-[2-(oxan-3-yloxy)-4-propoxyphenyl]propan-2-amine
CID 107137097
3-[2-(2-aminopropyl)-5-methoxyphenoxy]propanamide
CID 61269487
(2-butoxy-4-propoxyphenyl)methanamine
CID 43472095

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromoprop-2-enoxy)-4-propoxyphenyl]propan-2-amine?
The IUPAC name of 1-[2-(2-bromoprop-2-enoxy)-4-propoxyphenyl]propan-2-amine (CID 54930737) is 1-[2-(2-bromoprop-2-enoxy)-4-propoxyphenyl]propan-2-amine.
What is the SMILES notation for 1-[2-(2-bromoprop-2-enoxy)-4-propoxyphenyl]propan-2-amine?
The canonical SMILES for 1-[2-(2-bromoprop-2-enoxy)-4-propoxyphenyl]propan-2-amine is C=C(Br)COc1cc(OCCC)ccc1CC(C)N.
What is the InChIKey of 1-[2-(2-bromoprop-2-enoxy)-4-propoxyphenyl]propan-2-amine?
The InChIKey is INXIGTQOQTXBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-4-7-18-14-6-5-13(8-12(3)17)15(9-14)19-10-11(2)16/h5-6,9,12H,2,4,7-8,10,17H2,1,3H3.
What are the key properties of 1-[2-(2-bromoprop-2-enoxy)-4-propoxyphenyl]propan-2-amine?
1-[2-(2-bromoprop-2-enoxy)-4-propoxyphenyl]propan-2-amine has a molecular weight of 328.25 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromoprop-2-enoxy)-4-propoxyphenyl]propan-2-amine is sourced from PubChem (CID 54930737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).