2-[1-(ethylamino)propyl]-N-(furan-3-ylmethyl)-N-methylaniline

C17H24N2O — CID 115994953

IUPAC2-[1-(ethylamino)propyl]-N-(furan-3-ylmethyl)-N-methylaniline
SMILESCCNC(CC)c1ccccc1N(C)Cc1ccoc1
InChIInChI=1S/C17H24N2O/c1-4-16(18-5-2)15-8-6-7-9-17(15)19(3)12-14-10-11-20-13-14/h6-11,13,16,18H,4-5,12H2,1-3H3
InChIKeyROZMDLHNRYYHDZ-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.98
Rot. Bonds7

About 2-[1-(ethylamino)propyl]-N-(furan-3-ylmethyl)-N-methylaniline

2-[1-(ethylamino)propyl]-N-(furan-3-ylmethyl)-N-methylaniline (PubChem CID 115994953) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[1-(ethylamino)propyl]-N-(furan-3-ylmethyl)-N-methylaniline.

Molecular Properties

Compound Name2-[1-(ethylamino)propyl]-N-(furan-3-ylmethyl)-N-methylaniline
PubChem CID115994953
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-[1-(ethylamino)propyl]-N-(furan-3-ylmethyl)-N-methylaniline
SMILESCCNC(CC)c1ccccc1N(C)Cc1ccoc1
InChIInChI=1S/C17H24N2O/c1-4-16(18-5-2)15-8-6-7-9-17(15)19(3)12-14-10-11-20-13-14/h6-11,13,16,18H,4-5,12H2,1-3H3
InChIKeyROZMDLHNRYYHDZ-UHFFFAOYSA-N
XLogP3.98
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(ethylamino)propyl]-N-(furan-3-ylmethyl)-N-methylaniline?
The IUPAC name of 2-[1-(ethylamino)propyl]-N-(furan-3-ylmethyl)-N-methylaniline (CID 115994953) is 2-[1-(ethylamino)propyl]-N-(furan-3-ylmethyl)-N-methylaniline.
What is the SMILES notation for 2-[1-(ethylamino)propyl]-N-(furan-3-ylmethyl)-N-methylaniline?
The canonical SMILES for 2-[1-(ethylamino)propyl]-N-(furan-3-ylmethyl)-N-methylaniline is CCNC(CC)c1ccccc1N(C)Cc1ccoc1.
What is the InChIKey of 2-[1-(ethylamino)propyl]-N-(furan-3-ylmethyl)-N-methylaniline?
The InChIKey is ROZMDLHNRYYHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-4-16(18-5-2)15-8-6-7-9-17(15)19(3)12-14-10-11-20-13-14/h6-11,13,16,18H,4-5,12H2,1-3H3.
What are the key properties of 2-[1-(ethylamino)propyl]-N-(furan-3-ylmethyl)-N-methylaniline?
2-[1-(ethylamino)propyl]-N-(furan-3-ylmethyl)-N-methylaniline has a molecular weight of 272.39 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(ethylamino)propyl]-N-(furan-3-ylmethyl)-N-methylaniline is sourced from PubChem (CID 115994953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).