2-N-[furan-2-yl(phenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine

C18H26N2O — CID 61477090

IUPAC2-N-[furan-2-yl(phenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
SMILESCC(C)C(CN(C)C)NC(c1ccccc1)c1ccco1
InChIInChI=1S/C18H26N2O/c1-14(2)16(13-20(3)4)19-18(17-11-8-12-21-17)15-9-6-5-7-10-15/h5-12,14,16,18-19H,13H2,1-4H3
InChIKeyHCUTXSWPFMEPCL-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.54
Rot. Bonds7

About 2-N-[furan-2-yl(phenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine

2-N-[furan-2-yl(phenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine (PubChem CID 61477090) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-N-[furan-2-yl(phenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-[furan-2-yl(phenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
PubChem CID61477090
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-N-[furan-2-yl(phenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
SMILESCC(C)C(CN(C)C)NC(c1ccccc1)c1ccco1
InChIInChI=1S/C18H26N2O/c1-14(2)16(13-20(3)4)19-18(17-11-8-12-21-17)15-9-6-5-7-10-15/h5-12,14,16,18-19H,13H2,1-4H3
InChIKeyHCUTXSWPFMEPCL-UHFFFAOYSA-N
XLogP3.54
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-[furan-2-yl(phenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,1-N,3-trimethyl-2-N-(1-phenylethyl)butane-1,2-diamine
CID 54954174
(1R)-1-(furan-2-yl)-N-[furan-2-yl(phenyl)methyl]ethanamine
CID 81402613
N-[furan-2-yl(phenyl)methyl]-3-methylpentan-2-amine
CID 60780727
(2R)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N,N-dimethyl-2-phenylacetamide
CID 8756342
N-[furan-2-yl(phenyl)methyl]-1-methylsulfonylpropan-2-amine
CID 64629529
2-N-[4-(furan-2-yl)butan-2-yl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 54953465
1-cyclobutyl-N-[furan-2-yl(phenyl)methyl]propan-2-amine
CID 115707858
3-[[furan-2-yl(phenyl)methyl]amino]butanamide
CID 115573315
N-[furan-2-yl(phenyl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43692754
N-[furan-2-yl(phenyl)methyl]-2-(N-methylanilino)acetamide
CID 78807275
1-cyclopropyl-N-[furan-2-yl(phenyl)methyl]propan-1-amine
CID 64919705
3-[[furan-2-yl(phenyl)methyl]amino]pentan-1-ol
CID 104531232

Frequently Asked Questions

What is the IUPAC name of 2-N-[furan-2-yl(phenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine?
The IUPAC name of 2-N-[furan-2-yl(phenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine (CID 61477090) is 2-N-[furan-2-yl(phenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-[furan-2-yl(phenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-[furan-2-yl(phenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine is CC(C)C(CN(C)C)NC(c1ccccc1)c1ccco1.
What is the InChIKey of 2-N-[furan-2-yl(phenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine?
The InChIKey is HCUTXSWPFMEPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-14(2)16(13-20(3)4)19-18(17-11-8-12-21-17)15-9-6-5-7-10-15/h5-12,14,16,18-19H,13H2,1-4H3.
What are the key properties of 2-N-[furan-2-yl(phenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine?
2-N-[furan-2-yl(phenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine has a molecular weight of 286.42 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[furan-2-yl(phenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine is sourced from PubChem (CID 61477090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).