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

C16H24BrNO2 — CID 60906344

IUPAC1-[2-(2-bromoprop-2-enoxy)-4-propoxyphenyl]butan-2-amine
SMILESC=C(Br)COc1cc(OCCC)ccc1CC(N)CC
InChIInChI=1S/C16H24BrNO2/c1-4-8-19-15-7-6-13(9-14(18)5-2)16(10-15)20-11-12(3)17/h6-7,10,14H,3-5,8-9,11,18H2,1-2H3
InChIKeyNIESNHAEIZMKKO-UHFFFAOYSA-N
MW342.28 g/mol
LogP4.04
Rot. Bonds9

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

1-[2-(2-bromoprop-2-enoxy)-4-propoxyphenyl]butan-2-amine (PubChem CID 60906344) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 1-[2-(2-bromoprop-2-enoxy)-4-propoxyphenyl]butan-2-amine.

Molecular Properties

Compound Name1-[2-(2-bromoprop-2-enoxy)-4-propoxyphenyl]butan-2-amine
PubChem CID60906344
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC Name1-[2-(2-bromoprop-2-enoxy)-4-propoxyphenyl]butan-2-amine
SMILESC=C(Br)COc1cc(OCCC)ccc1CC(N)CC
InChIInChI=1S/C16H24BrNO2/c1-4-8-19-15-7-6-13(9-14(18)5-2)16(10-15)20-11-12(3)17/h6-7,10,14H,3-5,8-9,11,18H2,1-2H3
InChIKeyNIESNHAEIZMKKO-UHFFFAOYSA-N
XLogP4.04
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2-bromoprop-2-enoxy)-4-propoxyphenyl]butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2-bromoprop-2-enoxy)-4-propoxyphenyl]propan-2-amine
CID 54930737
N-[[2-(2-bromoprop-2-enoxy)-4-propoxyphenyl]methyl]-2-methylpropan-2-amine
CID 63501385
2-(2-bromoprop-2-enoxy)-4-propoxybenzaldehyde
CID 60874336
1-[4-(2-bromoprop-2-enoxy)phenyl]butan-2-amine
CID 60907565
1-(2-butoxy-4-propoxyphenyl)propan-2-amine
CID 54930871
1-[3-(2-bromoprop-2-enoxy)-4-methoxyphenyl]butan-2-amine
CID 54929465
1-[2-(2-methoxyethoxy)-4-propoxyphenyl]propan-2-amine
CID 60906244
1-[2-bromo-5-(3-methylbut-3-enoxy)phenyl]butan-2-amine
CID 114476337
1-[4-methoxy-2-(2-methylsulfanylethoxy)phenyl]butan-2-amine
CID 113474011
1-[2-(2-bromoprop-2-enoxy)-6-chlorophenyl]butan-2-amine
CID 113277161
1-[4-(2-bromoprop-2-enoxy)-3,5-dimethoxyphenyl]butan-2-amine
CID 60907286
1-(2-but-2-ynoxy-4-propoxyphenyl)propan-2-amine
CID 62311403

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromoprop-2-enoxy)-4-propoxyphenyl]butan-2-amine?
The IUPAC name of 1-[2-(2-bromoprop-2-enoxy)-4-propoxyphenyl]butan-2-amine (CID 60906344) is 1-[2-(2-bromoprop-2-enoxy)-4-propoxyphenyl]butan-2-amine.
What is the SMILES notation for 1-[2-(2-bromoprop-2-enoxy)-4-propoxyphenyl]butan-2-amine?
The canonical SMILES for 1-[2-(2-bromoprop-2-enoxy)-4-propoxyphenyl]butan-2-amine is C=C(Br)COc1cc(OCCC)ccc1CC(N)CC.
What is the InChIKey of 1-[2-(2-bromoprop-2-enoxy)-4-propoxyphenyl]butan-2-amine?
The InChIKey is NIESNHAEIZMKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-4-8-19-15-7-6-13(9-14(18)5-2)16(10-15)20-11-12(3)17/h6-7,10,14H,3-5,8-9,11,18H2,1-2H3.
What are the key properties of 1-[2-(2-bromoprop-2-enoxy)-4-propoxyphenyl]butan-2-amine?
1-[2-(2-bromoprop-2-enoxy)-4-propoxyphenyl]butan-2-amine has a molecular weight of 342.28 g/mol, XLogP of 4.04, 9 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]butan-2-amine is sourced from PubChem (CID 60906344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).