1-(2,5-dimethylfuran-3-yl)-N-(2-methylpropoxy)ethanamine

C12H21NO2 — CID 82710440

IUPAC1-(2,5-dimethylfuran-3-yl)-N-(2-methylpropoxy)ethanamine
SMILESCc1cc(C(C)NOCC(C)C)c(C)o1
InChIInChI=1S/C12H21NO2/c1-8(2)7-14-13-10(4)12-6-9(3)15-11(12)5/h6,8,10,13H,7H2,1-5H3
InChIKeyYCHQQLSSQGMRLO-UHFFFAOYSA-N
MW211.30 g/mol
LogP3.13
Rot. Bonds5

About 1-(2,5-dimethylfuran-3-yl)-N-(2-methylpropoxy)ethanamine

1-(2,5-dimethylfuran-3-yl)-N-(2-methylpropoxy)ethanamine (PubChem CID 82710440) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-yl)-N-(2-methylpropoxy)ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-yl)-N-(2-methylpropoxy)ethanamine
PubChem CID82710440
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-(2,5-dimethylfuran-3-yl)-N-(2-methylpropoxy)ethanamine
SMILESCc1cc(C(C)NOCC(C)C)c(C)o1
InChIInChI=1S/C12H21NO2/c1-8(2)7-14-13-10(4)12-6-9(3)15-11(12)5/h6,8,10,13H,7H2,1-5H3
InChIKeyYCHQQLSSQGMRLO-UHFFFAOYSA-N
XLogP3.13
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 43121203
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 64851577
2-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propane-1,2-diamine
CID 103389665
2-[1-(2,5-dimethylfuran-3-yl)ethylamino]propane-1,3-diol
CID 65312937
4-[1-(2,5-dimethylfuran-3-yl)ethylamino]butan-2-ol
CID 64913851
1-(2,5-dimethylfuran-3-yl)-N-(2-methylsulfanylethyl)ethanamine
CID 63981125
ethyl 2-[1-(2,5-dimethylfuran-3-yl)ethylamino]acetate
CID 60812257
2-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]acetamide
CID 63680874
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-dimethoxyaniline
CID 43121263
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-methylsulfonylpropan-2-amine
CID 64628955
methyl 2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-methylpropanoate
CID 43726174
tert-butyl N-[1-(2,5-dimethylfuran-3-yl)ethyl]carbamate
CID 63789405

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-yl)-N-(2-methylpropoxy)ethanamine?
The IUPAC name of 1-(2,5-dimethylfuran-3-yl)-N-(2-methylpropoxy)ethanamine (CID 82710440) is 1-(2,5-dimethylfuran-3-yl)-N-(2-methylpropoxy)ethanamine.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)-N-(2-methylpropoxy)ethanamine?
The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)-N-(2-methylpropoxy)ethanamine is Cc1cc(C(C)NOCC(C)C)c(C)o1.
What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)-N-(2-methylpropoxy)ethanamine?
The InChIKey is YCHQQLSSQGMRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-8(2)7-14-13-10(4)12-6-9(3)15-11(12)5/h6,8,10,13H,7H2,1-5H3.
What are the key properties of 1-(2,5-dimethylfuran-3-yl)-N-(2-methylpropoxy)ethanamine?
1-(2,5-dimethylfuran-3-yl)-N-(2-methylpropoxy)ethanamine has a molecular weight of 211.30 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylfuran-3-yl)-N-(2-methylpropoxy)ethanamine is sourced from PubChem (CID 82710440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).