N-benzyl-N-methyl-2-(5-methylfuran-2-yl)ethanamine;hydrochloride

C15H20ClNO — CID 3063929

IUPACN-benzyl-N-methyl-2-(5-methylfuran-2-yl)ethanamine;hydrochloride
SMILESCc1ccc(CCN(C)Cc2ccccc2)o1.Cl
InChIInChI=1S/C15H19NO.ClH/c1-13-8-9-15(17-13)10-11-16(2)12-14-6-4-3-5-7-14;/h3-9H,10-12H2,1-2H3;1H
InChIKeyKDQQSPAGSBUUHR-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.68
Rot. Bonds5

About N-benzyl-N-methyl-2-(5-methylfuran-2-yl)ethanamine;hydrochloride

N-benzyl-N-methyl-2-(5-methylfuran-2-yl)ethanamine;hydrochloride (PubChem CID 3063929) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-(5-methylfuran-2-yl)ethanamine;hydrochloride.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-(5-methylfuran-2-yl)ethanamine;hydrochloride
PubChem CID3063929
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC NameN-benzyl-N-methyl-2-(5-methylfuran-2-yl)ethanamine;hydrochloride
SMILESCc1ccc(CCN(C)Cc2ccccc2)o1.Cl
InChIInChI=1S/C15H19NO.ClH/c1-13-8-9-15(17-13)10-11-16(2)12-14-6-4-3-5-7-14;/h3-9H,10-12H2,1-2H3;1H
InChIKeyKDQQSPAGSBUUHR-UHFFFAOYSA-N
XLogP3.68
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-(5-methylfuran-2-yl)ethanamine;hydrochloride?
The IUPAC name of N-benzyl-N-methyl-2-(5-methylfuran-2-yl)ethanamine;hydrochloride (CID 3063929) is N-benzyl-N-methyl-2-(5-methylfuran-2-yl)ethanamine;hydrochloride.
What is the SMILES notation for N-benzyl-N-methyl-2-(5-methylfuran-2-yl)ethanamine;hydrochloride?
The canonical SMILES for N-benzyl-N-methyl-2-(5-methylfuran-2-yl)ethanamine;hydrochloride is Cc1ccc(CCN(C)Cc2ccccc2)o1.Cl.
What is the InChIKey of N-benzyl-N-methyl-2-(5-methylfuran-2-yl)ethanamine;hydrochloride?
The InChIKey is KDQQSPAGSBUUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO.ClH/c1-13-8-9-15(17-13)10-11-16(2)12-14-6-4-3-5-7-14;/h3-9H,10-12H2,1-2H3;1H.
What are the key properties of N-benzyl-N-methyl-2-(5-methylfuran-2-yl)ethanamine;hydrochloride?
N-benzyl-N-methyl-2-(5-methylfuran-2-yl)ethanamine;hydrochloride has a molecular weight of 265.78 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-(5-methylfuran-2-yl)ethanamine;hydrochloride is sourced from PubChem (CID 3063929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).