2-N-benzyl-2-N-ethyl-1-N-(furan-2-ylmethyl)propane-1,2-diamine

C17H24N2O — CID 62556964

IUPAC2-N-benzyl-2-N-ethyl-1-N-(furan-2-ylmethyl)propane-1,2-diamine
SMILESCCN(Cc1ccccc1)C(C)CNCc1ccco1
InChIInChI=1S/C17H24N2O/c1-3-19(14-16-8-5-4-6-9-16)15(2)12-18-13-17-10-7-11-20-17/h4-11,15,18H,3,12-14H2,1-2H3
InChIKeyPGZHEHNBZHQXEE-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.28
Rot. Bonds8

About 2-N-benzyl-2-N-ethyl-1-N-(furan-2-ylmethyl)propane-1,2-diamine

2-N-benzyl-2-N-ethyl-1-N-(furan-2-ylmethyl)propane-1,2-diamine (PubChem CID 62556964) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-N-benzyl-2-N-ethyl-1-N-(furan-2-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-benzyl-2-N-ethyl-1-N-(furan-2-ylmethyl)propane-1,2-diamine
PubChem CID62556964
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-N-benzyl-2-N-ethyl-1-N-(furan-2-ylmethyl)propane-1,2-diamine
SMILESCCN(Cc1ccccc1)C(C)CNCc1ccco1
InChIInChI=1S/C17H24N2O/c1-3-19(14-16-8-5-4-6-9-16)15(2)12-18-13-17-10-7-11-20-17/h4-11,15,18H,3,12-14H2,1-2H3
InChIKeyPGZHEHNBZHQXEE-UHFFFAOYSA-N
XLogP3.28
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-ethyl-2-N-(furan-2-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62569627
2-N-benzyl-2-N-ethyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 55089287
N-(furan-2-ylmethyl)-2-methylbutan-1-amine
CID 43200420
N'-butan-2-yl-N'-ethyl-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 62559419
1-N-(furan-2-ylmethyl)-2-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine
CID 62569447
N-(furan-2-ylmethyl)-2,2-diphenylethanamine
CID 103603203
N-(furan-2-ylmethyl)-3-methyl-2-phenylpentan-1-amine
CID 54884385
(2S)-2-[benzyl(ethyl)amino]propan-1-ol
CID 14327251
1-N-(furan-2-ylmethyl)-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62569923
2-N-[3-(dimethylamino)propyl]-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine
CID 55226797
1-N-(furan-2-ylmethyl)-2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)propane-1,2-diamine
CID 62568181
1-(4-ethylphenyl)-2-(furan-2-ylmethylamino)ethanol
CID 112501576

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-2-N-ethyl-1-N-(furan-2-ylmethyl)propane-1,2-diamine?
The IUPAC name of 2-N-benzyl-2-N-ethyl-1-N-(furan-2-ylmethyl)propane-1,2-diamine (CID 62556964) is 2-N-benzyl-2-N-ethyl-1-N-(furan-2-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-benzyl-2-N-ethyl-1-N-(furan-2-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-benzyl-2-N-ethyl-1-N-(furan-2-ylmethyl)propane-1,2-diamine is CCN(Cc1ccccc1)C(C)CNCc1ccco1.
What is the InChIKey of 2-N-benzyl-2-N-ethyl-1-N-(furan-2-ylmethyl)propane-1,2-diamine?
The InChIKey is PGZHEHNBZHQXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-3-19(14-16-8-5-4-6-9-16)15(2)12-18-13-17-10-7-11-20-17/h4-11,15,18H,3,12-14H2,1-2H3.
What are the key properties of 2-N-benzyl-2-N-ethyl-1-N-(furan-2-ylmethyl)propane-1,2-diamine?
2-N-benzyl-2-N-ethyl-1-N-(furan-2-ylmethyl)propane-1,2-diamine has a molecular weight of 272.39 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-2-N-ethyl-1-N-(furan-2-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 62556964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).