4-[1-amino-2-(furan-3-yl)ethyl]-N,N-dimethylaniline

C14H18N2O — CID 105177745

IUPAC4-[1-amino-2-(furan-3-yl)ethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(N)Cc2ccoc2)cc1
InChIInChI=1S/C14H18N2O/c1-16(2)13-5-3-12(4-6-13)14(15)9-11-7-8-17-10-11/h3-8,10,14H,9,15H2,1-2H3
InChIKeyGZILIPCILWCXRS-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.59
Rot. Bonds4

About 4-[1-amino-2-(furan-3-yl)ethyl]-N,N-dimethylaniline

4-[1-amino-2-(furan-3-yl)ethyl]-N,N-dimethylaniline (PubChem CID 105177745) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-[1-amino-2-(furan-3-yl)ethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[1-amino-2-(furan-3-yl)ethyl]-N,N-dimethylaniline
PubChem CID105177745
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name4-[1-amino-2-(furan-3-yl)ethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(N)Cc2ccoc2)cc1
InChIInChI=1S/C14H18N2O/c1-16(2)13-5-3-12(4-6-13)14(15)9-11-7-8-17-10-11/h3-8,10,14H,9,15H2,1-2H3
InChIKeyGZILIPCILWCXRS-UHFFFAOYSA-N
XLogP2.59
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(furan-3-yl)-1-(4-methoxyphenyl)ethanamine
CID 83175778
1-(furan-3-yl)-3-N,3-N,3-trimethylbutane-2,3-diamine
CID 83175064
4-[1-amino-2-(3,4-dichlorophenyl)ethyl]-N,N-dimethylaniline
CID 105136553
2-(furan-3-yl)-1-(5-methyl-3-pyridinyl)ethanamine
CID 105177749
4-[furan-3-yl(hydrazinyl)methyl]-N,N-dimethylaniline
CID 105305795
3-N,3-N-diethyl-1-(furan-3-yl)-3-methylbutane-2,3-diamine
CID 83175467
2-(furan-3-yl)-1-(5-methylpyrimidin-2-yl)ethanamine
CID 83182184
1-(furan-3-yl)-3-methyl-3-methylsulfonylbutan-2-amine
CID 105029951
4-[(1S)-1-aminobut-3-enyl]-N,N-dimethylaniline
CID 55270314
(3S)-3-amino-3-[4-(dimethylamino)phenyl]propanenitrile
CID 95436537
4-[1-amino-2-(2,4-dichlorophenyl)ethyl]-N,N-dimethylaniline
CID 105132810
3-(furan-3-yl)-2-methylpropan-1-amine
CID 64666648

Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-2-(furan-3-yl)ethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[1-amino-2-(furan-3-yl)ethyl]-N,N-dimethylaniline (CID 105177745) is 4-[1-amino-2-(furan-3-yl)ethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[1-amino-2-(furan-3-yl)ethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[1-amino-2-(furan-3-yl)ethyl]-N,N-dimethylaniline is CN(C)c1ccc(C(N)Cc2ccoc2)cc1.
What is the InChIKey of 4-[1-amino-2-(furan-3-yl)ethyl]-N,N-dimethylaniline?
The InChIKey is GZILIPCILWCXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-16(2)13-5-3-12(4-6-13)14(15)9-11-7-8-17-10-11/h3-8,10,14H,9,15H2,1-2H3.
What are the key properties of 4-[1-amino-2-(furan-3-yl)ethyl]-N,N-dimethylaniline?
4-[1-amino-2-(furan-3-yl)ethyl]-N,N-dimethylaniline has a molecular weight of 230.31 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-amino-2-(furan-3-yl)ethyl]-N,N-dimethylaniline is sourced from PubChem (CID 105177745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).