3-(3-bromofuran-2-yl)-2-phenyl-N-propan-2-ylpropan-1-amine

C16H20BrNO — CID 81024535

IUPAC3-(3-bromofuran-2-yl)-2-phenyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(Cc1occc1Br)c1ccccc1
InChIInChI=1S/C16H20BrNO/c1-12(2)18-11-14(13-6-4-3-5-7-13)10-16-15(17)8-9-19-16/h3-9,12,14,18H,10-11H2,1-2H3
InChIKeyWOBKHNBVOGQWSM-UHFFFAOYSA-N
MW322.25 g/mol
LogP4.37
Rot. Bonds6

About 3-(3-bromofuran-2-yl)-2-phenyl-N-propan-2-ylpropan-1-amine

3-(3-bromofuran-2-yl)-2-phenyl-N-propan-2-ylpropan-1-amine (PubChem CID 81024535) has the molecular formula C16H20BrNO and a molecular weight of 322.25 g/mol. Its IUPAC name is 3-(3-bromofuran-2-yl)-2-phenyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(3-bromofuran-2-yl)-2-phenyl-N-propan-2-ylpropan-1-amine
PubChem CID81024535
Molecular FormulaC16H20BrNO
Molecular Weight322.25 g/mol
Exact Mass321.07
IUPAC Name3-(3-bromofuran-2-yl)-2-phenyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(Cc1occc1Br)c1ccccc1
InChIInChI=1S/C16H20BrNO/c1-12(2)18-11-14(13-6-4-3-5-7-13)10-16-15(17)8-9-19-16/h3-9,12,14,18H,10-11H2,1-2H3
InChIKeyWOBKHNBVOGQWSM-UHFFFAOYSA-N
XLogP4.37
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(3-bromofuran-2-yl)-2-phenyl-N-propan-2-ylpropan-1-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

3-(3-bromo-2-fluorophenyl)-2-phenyl-N-propan-2-ylpropan-1-amine
CID 106647005
3-(furan-3-yl)-2-phenyl-N-propan-2-ylpropan-1-amine
CID 81024001
3-(2-bromophenyl)-2-(4-bromophenyl)-N-propan-2-ylpropan-1-amine
CID 79430471
3-(4-bromo-1-ethylpyrazol-5-yl)-2-phenyl-N-propan-2-ylpropan-1-amine
CID 114667307
2-phenyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine
CID 65430414
3-(2,4-dimethylphenyl)-2-phenyl-N-propan-2-ylpropan-1-amine
CID 81028590
3-(2-bromophenyl)-2-(3-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 79422919
3-(2-methylpyrazol-3-yl)-2-phenyl-N-propan-2-ylpropan-1-amine
CID 81024676
4-methyl-2-phenyl-N-propan-2-ylhexan-1-amine
CID 65430791
3-(3-bromofuran-2-yl)-2-methylpropan-1-amine
CID 64664322
2-phenyl-N-propan-2-yl-3-(2-propylpyrazol-3-yl)propan-1-amine
CID 81027473
3-(3-methyltriazol-4-yl)-2-phenyl-N-propan-2-ylpropan-1-amine
CID 114691554

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromofuran-2-yl)-2-phenyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(3-bromofuran-2-yl)-2-phenyl-N-propan-2-ylpropan-1-amine (CID 81024535) is 3-(3-bromofuran-2-yl)-2-phenyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(3-bromofuran-2-yl)-2-phenyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(3-bromofuran-2-yl)-2-phenyl-N-propan-2-ylpropan-1-amine is CC(C)NCC(Cc1occc1Br)c1ccccc1.
What is the InChIKey of 3-(3-bromofuran-2-yl)-2-phenyl-N-propan-2-ylpropan-1-amine?
The InChIKey is WOBKHNBVOGQWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO/c1-12(2)18-11-14(13-6-4-3-5-7-13)10-16-15(17)8-9-19-16/h3-9,12,14,18H,10-11H2,1-2H3.
What are the key properties of 3-(3-bromofuran-2-yl)-2-phenyl-N-propan-2-ylpropan-1-amine?
3-(3-bromofuran-2-yl)-2-phenyl-N-propan-2-ylpropan-1-amine has a molecular weight of 322.25 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromofuran-2-yl)-2-phenyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 81024535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).