N,N-bis(furan-2-ylmethyl)-1-phenylmethanamine

C17H17NO2 — CID 10825735

IUPACN,N-bis(furan-2-ylmethyl)-1-phenylmethanamine
SMILESc1ccc(CN(Cc2ccco2)Cc2ccco2)cc1
InChIInChI=1S/C17H17NO2/c1-2-6-15(7-3-1)12-18(13-16-8-4-10-19-16)14-17-9-5-11-20-17/h1-11H,12-14H2
InChIKeyPKOXXCJXCSUIND-UHFFFAOYSA-N
MW267.33 g/mol
LogP4.07
Rot. Bonds6

About N,N-bis(furan-2-ylmethyl)-1-phenylmethanamine

N,N-bis(furan-2-ylmethyl)-1-phenylmethanamine (PubChem CID 10825735) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N,N-bis(furan-2-ylmethyl)-1-phenylmethanamine.

Molecular Properties

Compound NameN,N-bis(furan-2-ylmethyl)-1-phenylmethanamine
PubChem CID10825735
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC NameN,N-bis(furan-2-ylmethyl)-1-phenylmethanamine
SMILESc1ccc(CN(Cc2ccco2)Cc2ccco2)cc1
InChIInChI=1S/C17H17NO2/c1-2-6-15(7-3-1)12-18(13-16-8-4-10-19-16)14-17-9-5-11-20-17/h1-11H,12-14H2
InChIKeyPKOXXCJXCSUIND-UHFFFAOYSA-N
XLogP4.07
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(furan-2-ylmethyl)-1-phenylmethanamine?
The IUPAC name of N,N-bis(furan-2-ylmethyl)-1-phenylmethanamine (CID 10825735) is N,N-bis(furan-2-ylmethyl)-1-phenylmethanamine.
What is the SMILES notation for N,N-bis(furan-2-ylmethyl)-1-phenylmethanamine?
The canonical SMILES for N,N-bis(furan-2-ylmethyl)-1-phenylmethanamine is c1ccc(CN(Cc2ccco2)Cc2ccco2)cc1.
What is the InChIKey of N,N-bis(furan-2-ylmethyl)-1-phenylmethanamine?
The InChIKey is PKOXXCJXCSUIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-2-6-15(7-3-1)12-18(13-16-8-4-10-19-16)14-17-9-5-11-20-17/h1-11H,12-14H2.
What are the key properties of N,N-bis(furan-2-ylmethyl)-1-phenylmethanamine?
N,N-bis(furan-2-ylmethyl)-1-phenylmethanamine has a molecular weight of 267.33 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(furan-2-ylmethyl)-1-phenylmethanamine is sourced from PubChem (CID 10825735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).