1-[3-[(2-methoxy-4-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine

C15H19NO3 — CID 55077971

IUPAC1-[3-[(2-methoxy-4-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
SMILESCNCc1occc1COc1ccc(C)cc1OC
InChIInChI=1S/C15H19NO3/c1-11-4-5-13(14(8-11)17-3)19-10-12-6-7-18-15(12)9-16-2/h4-8,16H,9-10H2,1-3H3
InChIKeyONBIDGOTSKRMQR-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.90
Rot. Bonds6

About 1-[3-[(2-methoxy-4-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine

1-[3-[(2-methoxy-4-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine (PubChem CID 55077971) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[3-[(2-methoxy-4-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[(2-methoxy-4-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
PubChem CID55077971
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name1-[3-[(2-methoxy-4-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
SMILESCNCc1occc1COc1ccc(C)cc1OC
InChIInChI=1S/C15H19NO3/c1-11-4-5-13(14(8-11)17-3)19-10-12-6-7-18-15(12)9-16-2/h4-8,16H,9-10H2,1-3H3
InChIKeyONBIDGOTSKRMQR-UHFFFAOYSA-N
XLogP2.90
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(2-tert-butyl-4-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 62449489
N-[[2-[(2-methoxy-4-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 62450301
1-[4-[(2-methoxy-4-methylphenoxy)methyl]-5-methylthiophen-2-yl]-N-methylmethanamine
CID 80729265
1-[2-[(2-bromo-4-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 62460344
1-[2-[(2-fluoro-5-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 64853909
1-[3-[(2-fluoro-3-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 107661174
N-[[3-[(2-chloro-5-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62486962
2-[2-[(2-methoxy-4-methylphenoxy)methyl]phenyl]-N-methylethanamine
CID 115464699
N-[[3-[(2-fluoro-5-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 64854897
1-[3-[(3,4-dichlorophenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 62485941
N-[[3-[(2,5-dibromo-4-methoxyphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 79407348
N-methyl-1-[3-(propan-2-yloxymethyl)furan-2-yl]methanamine
CID 62457855

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-methoxy-4-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-[(2-methoxy-4-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine (CID 55077971) is 1-[3-[(2-methoxy-4-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[(2-methoxy-4-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[(2-methoxy-4-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine is CNCc1occc1COc1ccc(C)cc1OC.
What is the InChIKey of 1-[3-[(2-methoxy-4-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine?
The InChIKey is ONBIDGOTSKRMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-11-4-5-13(14(8-11)17-3)19-10-12-6-7-18-15(12)9-16-2/h4-8,16H,9-10H2,1-3H3.
What are the key properties of 1-[3-[(2-methoxy-4-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine?
1-[3-[(2-methoxy-4-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine has a molecular weight of 261.32 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-methoxy-4-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine is sourced from PubChem (CID 55077971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).