N-[(5-ethylfuran-2-yl)methyl]-1-methoxy-2-methylpropan-2-amine

C12H21NO2 — CID 115697426

IUPACN-[(5-ethylfuran-2-yl)methyl]-1-methoxy-2-methylpropan-2-amine
SMILESCCc1ccc(CNC(C)(C)COC)o1
InChIInChI=1S/C12H21NO2/c1-5-10-6-7-11(15-10)8-13-12(2,3)9-14-4/h6-7,13H,5,8-9H2,1-4H3
InChIKeyXMDDEMDHOKTLKY-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.36
Rot. Bonds6

About N-[(5-ethylfuran-2-yl)methyl]-1-methoxy-2-methylpropan-2-amine

N-[(5-ethylfuran-2-yl)methyl]-1-methoxy-2-methylpropan-2-amine (PubChem CID 115697426) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is N-[(5-ethylfuran-2-yl)methyl]-1-methoxy-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(5-ethylfuran-2-yl)methyl]-1-methoxy-2-methylpropan-2-amine
PubChem CID115697426
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC NameN-[(5-ethylfuran-2-yl)methyl]-1-methoxy-2-methylpropan-2-amine
SMILESCCc1ccc(CNC(C)(C)COC)o1
InChIInChI=1S/C12H21NO2/c1-5-10-6-7-11(15-10)8-13-12(2,3)9-14-4/h6-7,13H,5,8-9H2,1-4H3
InChIKeyXMDDEMDHOKTLKY-UHFFFAOYSA-N
XLogP2.36
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-ethylfuran-2-yl)methyl]-1-methoxy-2-methylpropan-2-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-methoxy-2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propan-2-amine
CID 113230760
5-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103264538
methyl 5-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]furan-3-carboxylate
CID 115609386
3-methoxy-2-methyl-2-[(5-methylfuran-2-yl)methylamino]propanoic acid
CID 115002340
methyl 3-[(5-ethylfuran-2-yl)methylamino]-2,2-dimethylpropanoate
CID 113372076
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-methoxy-2-methylpropan-2-amine
CID 115684330
tert-butyl N-[2-ethyl-2-[(5-ethylfuran-2-yl)methylamino]butyl]carbamate
CID 107252008
5-tert-butyl-N-[(5-ethylfuran-2-yl)methyl]-2-methoxyaniline
CID 63426533
N-[(5-ethylfuran-2-yl)methyl]-3,4-dimethoxyaniline
CID 62347377
2,4,4-trimethyl-N-[(5-methylfuran-2-yl)methyl]pentan-2-amine
CID 43434212
ethane;N-ethyl-1-methoxy-2-methylpropan-2-amine
CID 177317291
2-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]-1-benzofuran-3-carboxylic acid
CID 103264532

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-1-methoxy-2-methylpropan-2-amine?
The IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-1-methoxy-2-methylpropan-2-amine (CID 115697426) is N-[(5-ethylfuran-2-yl)methyl]-1-methoxy-2-methylpropan-2-amine.
What is the SMILES notation for N-[(5-ethylfuran-2-yl)methyl]-1-methoxy-2-methylpropan-2-amine?
The canonical SMILES for N-[(5-ethylfuran-2-yl)methyl]-1-methoxy-2-methylpropan-2-amine is CCc1ccc(CNC(C)(C)COC)o1.
What is the InChIKey of N-[(5-ethylfuran-2-yl)methyl]-1-methoxy-2-methylpropan-2-amine?
The InChIKey is XMDDEMDHOKTLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-5-10-6-7-11(15-10)8-13-12(2,3)9-14-4/h6-7,13H,5,8-9H2,1-4H3.
What are the key properties of N-[(5-ethylfuran-2-yl)methyl]-1-methoxy-2-methylpropan-2-amine?
N-[(5-ethylfuran-2-yl)methyl]-1-methoxy-2-methylpropan-2-amine has a molecular weight of 211.30 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylfuran-2-yl)methyl]-1-methoxy-2-methylpropan-2-amine is sourced from PubChem (CID 115697426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).