N-(furan-2-ylmethyl)-N-(naphthalen-2-ylmethyl)-3-phenylpropan-1-amine

C25H25NO — CID 156786217

IUPACN-(furan-2-ylmethyl)-N-(naphthalen-2-ylmethyl)-3-phenylpropan-1-amine
SMILESc1ccc(CCCN(Cc2ccc3ccccc3c2)Cc2ccco2)cc1
InChIInChI=1S/C25H25NO/c1-2-8-21(9-3-1)10-6-16-26(20-25-13-7-17-27-25)19-22-14-15-23-11-4-5-12-24(23)18-22/h1-5,7-9,11-15,17-18H,6,10,16,19-20H2
InChIKeySDBRYSCCUDBFFL-UHFFFAOYSA-N
MW355.48 g/mol
LogP6.07
Rot. Bonds8

About N-(furan-2-ylmethyl)-N-(naphthalen-2-ylmethyl)-3-phenylpropan-1-amine

N-(furan-2-ylmethyl)-N-(naphthalen-2-ylmethyl)-3-phenylpropan-1-amine (PubChem CID 156786217) has the molecular formula C25H25NO and a molecular weight of 355.48 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(naphthalen-2-ylmethyl)-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(naphthalen-2-ylmethyl)-3-phenylpropan-1-amine
PubChem CID156786217
Molecular FormulaC25H25NO
Molecular Weight355.48 g/mol
Exact Mass355.19
IUPAC NameN-(furan-2-ylmethyl)-N-(naphthalen-2-ylmethyl)-3-phenylpropan-1-amine
SMILESc1ccc(CCCN(Cc2ccc3ccccc3c2)Cc2ccco2)cc1
InChIInChI=1S/C25H25NO/c1-2-8-21(9-3-1)10-6-16-26(20-25-13-7-17-27-25)19-22-14-15-23-11-4-5-12-24(23)18-22/h1-5,7-9,11-15,17-18H,6,10,16,19-20H2
InChIKeySDBRYSCCUDBFFL-UHFFFAOYSA-N
XLogP6.07
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-(naphthalen-2-ylmethyl)-3-phenylpropan-1-amine?
The IUPAC name of N-(furan-2-ylmethyl)-N-(naphthalen-2-ylmethyl)-3-phenylpropan-1-amine (CID 156786217) is N-(furan-2-ylmethyl)-N-(naphthalen-2-ylmethyl)-3-phenylpropan-1-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-(naphthalen-2-ylmethyl)-3-phenylpropan-1-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-N-(naphthalen-2-ylmethyl)-3-phenylpropan-1-amine is c1ccc(CCCN(Cc2ccc3ccccc3c2)Cc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-(naphthalen-2-ylmethyl)-3-phenylpropan-1-amine?
The InChIKey is SDBRYSCCUDBFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO/c1-2-8-21(9-3-1)10-6-16-26(20-25-13-7-17-27-25)19-22-14-15-23-11-4-5-12-24(23)18-22/h1-5,7-9,11-15,17-18H,6,10,16,19-20H2.
What are the key properties of N-(furan-2-ylmethyl)-N-(naphthalen-2-ylmethyl)-3-phenylpropan-1-amine?
N-(furan-2-ylmethyl)-N-(naphthalen-2-ylmethyl)-3-phenylpropan-1-amine has a molecular weight of 355.48 g/mol, XLogP of 6.07, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-(naphthalen-2-ylmethyl)-3-phenylpropan-1-amine is sourced from PubChem (CID 156786217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).