N-[1-(furan-2-yl)ethyl]-2-methyl-2-phenylpropan-1-amine

C16H21NO — CID 54886572

IUPACN-[1-(furan-2-yl)ethyl]-2-methyl-2-phenylpropan-1-amine
SMILESCC(NCC(C)(C)c1ccccc1)c1ccco1
InChIInChI=1S/C16H21NO/c1-13(15-10-7-11-18-15)17-12-16(2,3)14-8-5-4-6-9-14/h4-11,13,17H,12H2,1-3H3
InChIKeyOBOGIASXYBIWAA-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.91
Rot. Bonds5

About N-[1-(furan-2-yl)ethyl]-2-methyl-2-phenylpropan-1-amine

N-[1-(furan-2-yl)ethyl]-2-methyl-2-phenylpropan-1-amine (PubChem CID 54886572) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-2-methyl-2-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-2-methyl-2-phenylpropan-1-amine
PubChem CID54886572
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN-[1-(furan-2-yl)ethyl]-2-methyl-2-phenylpropan-1-amine
SMILESCC(NCC(C)(C)c1ccccc1)c1ccco1
InChIInChI=1S/C16H21NO/c1-13(15-10-7-11-18-15)17-12-16(2,3)14-8-5-4-6-9-14/h4-11,13,17H,12H2,1-3H3
InChIKeyOBOGIASXYBIWAA-UHFFFAOYSA-N
XLogP3.91
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(furan-2-yl)ethyl]-2-methyl-2-phenylpropan-1-amine 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-[1-(furan-2-yl)ethylamino]-2-methylpropan-2-ol
CID 60885068
3-[1-(furan-2-yl)ethylamino]-2,2-dimethylpropan-1-ol
CID 81414268
3-[[(1S)-1-(furan-2-yl)ethyl]amino]-2,2-dimethylpropan-1-ol
CID 81411975
3-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 104644855
N-[1-(4-iodophenyl)ethyl]-2-methyl-2-phenylpropan-1-amine
CID 63451569
1-[1-(furan-2-yl)ethylamino]-2-methylpentan-2-ol
CID 115719475
(2R)-2-[(2-methyl-2-phenylpropyl)amino]propan-1-ol
CID 103912755
2-amino-N-[1-(furan-2-yl)ethyl]-2-phenylpropanamide
CID 55078587
N-[1-(furan-2-yl)ethyl]-3-hydroxy-3-phenylbutanamide
CID 110024356
N-[(1S)-1-(furan-2-yl)ethyl]-3-methyl-2-phenylbutan-1-amine
CID 107876308
N'-[1-(furan-2-yl)ethyl]-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 43201793
(1S)-1-(furan-2-yl)-N-(2-phenoxyethyl)ethanamine
CID 81400353

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-2-methyl-2-phenylpropan-1-amine?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-2-methyl-2-phenylpropan-1-amine (CID 54886572) is N-[1-(furan-2-yl)ethyl]-2-methyl-2-phenylpropan-1-amine.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-2-methyl-2-phenylpropan-1-amine?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-2-methyl-2-phenylpropan-1-amine is CC(NCC(C)(C)c1ccccc1)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-2-methyl-2-phenylpropan-1-amine?
The InChIKey is OBOGIASXYBIWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-13(15-10-7-11-18-15)17-12-16(2,3)14-8-5-4-6-9-14/h4-11,13,17H,12H2,1-3H3.
What are the key properties of N-[1-(furan-2-yl)ethyl]-2-methyl-2-phenylpropan-1-amine?
N-[1-(furan-2-yl)ethyl]-2-methyl-2-phenylpropan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-2-methyl-2-phenylpropan-1-amine is sourced from PubChem (CID 54886572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).