N-[3-(furan-2-yl)-3-phenylpropyl]-2,2-dimethyloxan-4-amine

C20H27NO2 — CID 4209474

IUPACN-[3-(furan-2-yl)-3-phenylpropyl]-2,2-dimethyloxan-4-amine
SMILESCC1(C)CC(NCCC(c2ccccc2)c2ccco2)CCO1
InChIInChI=1S/C20H27NO2/c1-20(2)15-17(11-14-23-20)21-12-10-18(19-9-6-13-22-19)16-7-4-3-5-8-16/h3-9,13,17-18,21H,10-12,14-15H2,1-2H3
InChIKeyMTBSKVFOKRVVFD-UHFFFAOYSA-N
MW313.44 g/mol
LogP4.35
Rot. Bonds6

About N-[3-(furan-2-yl)-3-phenylpropyl]-2,2-dimethyloxan-4-amine

N-[3-(furan-2-yl)-3-phenylpropyl]-2,2-dimethyloxan-4-amine (PubChem CID 4209474) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is N-[3-(furan-2-yl)-3-phenylpropyl]-2,2-dimethyloxan-4-amine.

Molecular Properties

Compound NameN-[3-(furan-2-yl)-3-phenylpropyl]-2,2-dimethyloxan-4-amine
PubChem CID4209474
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC NameN-[3-(furan-2-yl)-3-phenylpropyl]-2,2-dimethyloxan-4-amine
SMILESCC1(C)CC(NCCC(c2ccccc2)c2ccco2)CCO1
InChIInChI=1S/C20H27NO2/c1-20(2)15-17(11-14-23-20)21-12-10-18(19-9-6-13-22-19)16-7-4-3-5-8-16/h3-9,13,17-18,21H,10-12,14-15H2,1-2H3
InChIKeyMTBSKVFOKRVVFD-UHFFFAOYSA-N
XLogP4.35
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)-3-phenylpropyl]-2,2-dimethyloxan-4-amine?
The IUPAC name of N-[3-(furan-2-yl)-3-phenylpropyl]-2,2-dimethyloxan-4-amine (CID 4209474) is N-[3-(furan-2-yl)-3-phenylpropyl]-2,2-dimethyloxan-4-amine.
What is the SMILES notation for N-[3-(furan-2-yl)-3-phenylpropyl]-2,2-dimethyloxan-4-amine?
The canonical SMILES for N-[3-(furan-2-yl)-3-phenylpropyl]-2,2-dimethyloxan-4-amine is CC1(C)CC(NCCC(c2ccccc2)c2ccco2)CCO1.
What is the InChIKey of N-[3-(furan-2-yl)-3-phenylpropyl]-2,2-dimethyloxan-4-amine?
The InChIKey is MTBSKVFOKRVVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-20(2)15-17(11-14-23-20)21-12-10-18(19-9-6-13-22-19)16-7-4-3-5-8-16/h3-9,13,17-18,21H,10-12,14-15H2,1-2H3.
What are the key properties of N-[3-(furan-2-yl)-3-phenylpropyl]-2,2-dimethyloxan-4-amine?
N-[3-(furan-2-yl)-3-phenylpropyl]-2,2-dimethyloxan-4-amine has a molecular weight of 313.44 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)-3-phenylpropyl]-2,2-dimethyloxan-4-amine is sourced from PubChem (CID 4209474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).