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

C16H21NO — CID 81024001

IUPAC3-(furan-3-yl)-2-phenyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(Cc1ccoc1)c1ccccc1
InChIInChI=1S/C16H21NO/c1-13(2)17-11-16(10-14-8-9-18-12-14)15-6-4-3-5-7-15/h3-9,12-13,16-17H,10-11H2,1-2H3
InChIKeySSQOOJTZWPUOMS-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.60
Rot. Bonds6

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

3-(furan-3-yl)-2-phenyl-N-propan-2-ylpropan-1-amine (PubChem CID 81024001) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-(furan-3-yl)-2-phenyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(furan-3-yl)-2-phenyl-N-propan-2-ylpropan-1-amine
PubChem CID81024001
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name3-(furan-3-yl)-2-phenyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(Cc1ccoc1)c1ccccc1
InChIInChI=1S/C16H21NO/c1-13(2)17-11-16(10-14-8-9-18-12-14)15-6-4-3-5-7-15/h3-9,12-13,16-17H,10-11H2,1-2H3
InChIKeySSQOOJTZWPUOMS-UHFFFAOYSA-N
XLogP3.60
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(furan-3-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 64664568
N-(furan-3-ylmethyl)-1-phenylethanamine
CID 42773967
2-phenyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine
CID 65430414
3-(furan-3-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine
CID 104845575
3-(3-bromofuran-2-yl)-2-phenyl-N-propan-2-ylpropan-1-amine
CID 81024535
3-(2-methylpyrazol-3-yl)-2-phenyl-N-propan-2-ylpropan-1-amine
CID 81024676
2-(furan-3-ylmethyl)-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 83183089
N-ethyl-2-(3-fluorophenyl)-3-(furan-3-yl)propan-1-amine
CID 83182511
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
4-methyl-2-phenyl-N-propan-2-ylhexan-1-amine
CID 65430791
N-(furan-3-ylmethyl)-N,N'-dimethyl-1-phenylethane-1,2-diamine
CID 62462915

Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-2-phenyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(furan-3-yl)-2-phenyl-N-propan-2-ylpropan-1-amine (CID 81024001) is 3-(furan-3-yl)-2-phenyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(furan-3-yl)-2-phenyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(furan-3-yl)-2-phenyl-N-propan-2-ylpropan-1-amine is CC(C)NCC(Cc1ccoc1)c1ccccc1.
What is the InChIKey of 3-(furan-3-yl)-2-phenyl-N-propan-2-ylpropan-1-amine?
The InChIKey is SSQOOJTZWPUOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-13(2)17-11-16(10-14-8-9-18-12-14)15-6-4-3-5-7-15/h3-9,12-13,16-17H,10-11H2,1-2H3.
What are the key properties of 3-(furan-3-yl)-2-phenyl-N-propan-2-ylpropan-1-amine?
3-(furan-3-yl)-2-phenyl-N-propan-2-ylpropan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-2-phenyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 81024001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).