1-[3-(furan-2-ylmethoxy)phenyl]-N-methylmethanamine;hydrochloride

C13H16ClNO2 — CID 67855263

IUPAC1-[3-(furan-2-ylmethoxy)phenyl]-N-methylmethanamine;hydrochloride
SMILESCNCc1cccc(OCc2ccco2)c1.Cl
InChIInChI=1S/C13H15NO2.ClH/c1-14-9-11-4-2-5-12(8-11)16-10-13-6-3-7-15-13;/h2-8,14H,9-10H2,1H3;1H
InChIKeyJSSRJXFTMAKHDZ-UHFFFAOYSA-N
MW253.73 g/mol
LogP3.00
Rot. Bonds5

About 1-[3-(furan-2-ylmethoxy)phenyl]-N-methylmethanamine;hydrochloride

1-[3-(furan-2-ylmethoxy)phenyl]-N-methylmethanamine;hydrochloride (PubChem CID 67855263) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 1-[3-(furan-2-ylmethoxy)phenyl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[3-(furan-2-ylmethoxy)phenyl]-N-methylmethanamine;hydrochloride
PubChem CID67855263
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name1-[3-(furan-2-ylmethoxy)phenyl]-N-methylmethanamine;hydrochloride
SMILESCNCc1cccc(OCc2ccco2)c1.Cl
InChIInChI=1S/C13H15NO2.ClH/c1-14-9-11-4-2-5-12(8-11)16-10-13-6-3-7-15-13;/h2-8,14H,9-10H2,1H3;1H
InChIKeyJSSRJXFTMAKHDZ-UHFFFAOYSA-N
XLogP3.00
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[3-[(5-methylfuran-2-yl)methoxy]phenyl]methanamine
CID 106486033
N-(furan-2-ylmethyl)-1-(3-phenylmethoxyphenyl)methanamine;hydrochloride
CID 2996544
1-[3-[(5-bromofuran-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 106485972
1-[3-(furan-3-ylmethoxy)phenyl]-N-methylmethanamine
CID 106486019
N-(furan-2-ylmethyl)-1-[3-[(4-methylphenyl)methoxy]phenyl]methanamine
CID 17055149
N-methyl-1-[3-[(2-methylphenyl)methoxy]phenyl]methanamine
CID 19744687
N-methyl-1-[3-[(3-methylphenoxy)methyl]phenyl]methanamine
CID 55077028
1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 17290694
1-[5-[(3-ethylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 62452138
N-(furan-2-ylmethyl)-1-[3-(2-methylpropoxy)phenyl]methanamine
CID 39360428
1-[5-[[3-(methoxymethyl)phenoxy]methyl]furan-2-yl]-N-methylmethanamine
CID 63986399
1-[3-(methoxymethoxy)phenyl]-N-methylmethanamine
CID 22931996

Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-2-ylmethoxy)phenyl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[3-(furan-2-ylmethoxy)phenyl]-N-methylmethanamine;hydrochloride (CID 67855263) is 1-[3-(furan-2-ylmethoxy)phenyl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[3-(furan-2-ylmethoxy)phenyl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[3-(furan-2-ylmethoxy)phenyl]-N-methylmethanamine;hydrochloride is CNCc1cccc(OCc2ccco2)c1.Cl.
What is the InChIKey of 1-[3-(furan-2-ylmethoxy)phenyl]-N-methylmethanamine;hydrochloride?
The InChIKey is JSSRJXFTMAKHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2.ClH/c1-14-9-11-4-2-5-12(8-11)16-10-13-6-3-7-15-13;/h2-8,14H,9-10H2,1H3;1H.
What are the key properties of 1-[3-(furan-2-ylmethoxy)phenyl]-N-methylmethanamine;hydrochloride?
1-[3-(furan-2-ylmethoxy)phenyl]-N-methylmethanamine;hydrochloride has a molecular weight of 253.73 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-2-ylmethoxy)phenyl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 67855263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).