2-[amino-(5-methylfuran-2-yl)methyl]-N,N,5-trimethylaniline;hydrochloride

C15H21ClN2O — CID 135263451

IUPAC2-[amino-(5-methylfuran-2-yl)methyl]-N,N,5-trimethylaniline;hydrochloride
SMILESCc1ccc(C(N)c2ccc(C)o2)c(N(C)C)c1.Cl
InChIInChI=1S/C15H20N2O.ClH/c1-10-5-7-12(13(9-10)17(3)4)15(16)14-8-6-11(2)18-14;/h5-9,15H,16H2,1-4H3;1H
InChIKeyNUTONXHLXOOQLR-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.43
Rot. Bonds3

About 2-[amino-(5-methylfuran-2-yl)methyl]-N,N,5-trimethylaniline;hydrochloride

2-[amino-(5-methylfuran-2-yl)methyl]-N,N,5-trimethylaniline;hydrochloride (PubChem CID 135263451) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 2-[amino-(5-methylfuran-2-yl)methyl]-N,N,5-trimethylaniline;hydrochloride.

Molecular Properties

Compound Name2-[amino-(5-methylfuran-2-yl)methyl]-N,N,5-trimethylaniline;hydrochloride
PubChem CID135263451
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name2-[amino-(5-methylfuran-2-yl)methyl]-N,N,5-trimethylaniline;hydrochloride
SMILESCc1ccc(C(N)c2ccc(C)o2)c(N(C)C)c1.Cl
InChIInChI=1S/C15H20N2O.ClH/c1-10-5-7-12(13(9-10)17(3)4)15(16)14-8-6-11(2)18-14;/h5-9,15H,16H2,1-4H3;1H
InChIKeyNUTONXHLXOOQLR-UHFFFAOYSA-N
XLogP3.43
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-4-methylphenyl)-(5-methylfuran-2-yl)methanamine;hydrochloride
CID 135262901
(S)-(5-methylfuran-2-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 135263337
(5-methylfuran-2-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanamine
CID 135262978
2-(1-amino-4-methylpentyl)-N,N,5-trimethylaniline
CID 71246988
(4-methoxy-2-methylphenyl)-(5-methylfuran-2-yl)methanamine
CID 43464444
(2-bromo-4-chlorophenyl)-(5-methylfuran-2-yl)methanamine
CID 107987483
(2-bromo-4,5-dimethoxyphenyl)-(5-methylfuran-2-yl)methanamine
CID 43464484
(4-bromothiophen-3-yl)-(5-methylfuran-2-yl)methanamine
CID 105010579
1-[2-(dimethylamino)-4-methylphenyl]-2-(methylamino)ethanol
CID 117108211
2-methyl-1-(5-methylfuran-2-yl)propan-1-amine;hydrochloride
CID 86263157
(5-methylfuran-2-yl)-(3,4,5-trifluorophenyl)methanamine
CID 63185829
2-fluoro-N,N,5-trimethylaniline
CID 118521335

Frequently Asked Questions

What is the IUPAC name of 2-[amino-(5-methylfuran-2-yl)methyl]-N,N,5-trimethylaniline;hydrochloride?
The IUPAC name of 2-[amino-(5-methylfuran-2-yl)methyl]-N,N,5-trimethylaniline;hydrochloride (CID 135263451) is 2-[amino-(5-methylfuran-2-yl)methyl]-N,N,5-trimethylaniline;hydrochloride.
What is the SMILES notation for 2-[amino-(5-methylfuran-2-yl)methyl]-N,N,5-trimethylaniline;hydrochloride?
The canonical SMILES for 2-[amino-(5-methylfuran-2-yl)methyl]-N,N,5-trimethylaniline;hydrochloride is Cc1ccc(C(N)c2ccc(C)o2)c(N(C)C)c1.Cl.
What is the InChIKey of 2-[amino-(5-methylfuran-2-yl)methyl]-N,N,5-trimethylaniline;hydrochloride?
The InChIKey is NUTONXHLXOOQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O.ClH/c1-10-5-7-12(13(9-10)17(3)4)15(16)14-8-6-11(2)18-14;/h5-9,15H,16H2,1-4H3;1H.
What are the key properties of 2-[amino-(5-methylfuran-2-yl)methyl]-N,N,5-trimethylaniline;hydrochloride?
2-[amino-(5-methylfuran-2-yl)methyl]-N,N,5-trimethylaniline;hydrochloride has a molecular weight of 280.80 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino-(5-methylfuran-2-yl)methyl]-N,N,5-trimethylaniline;hydrochloride is sourced from PubChem (CID 135263451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).