1-(3-ethoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine

C15H19NO2 — CID 104789931

IUPAC1-(3-ethoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
SMILESCCOc1cccc(C(NC)c2ccoc2C)c1
InChIInChI=1S/C15H19NO2/c1-4-17-13-7-5-6-12(10-13)15(16-3)14-8-9-18-11(14)2/h5-10,15-16H,4H2,1-3H3
InChIKeyWOUSJKAEOOVORA-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.30
Rot. Bonds5

About 1-(3-ethoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine

1-(3-ethoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine (PubChem CID 104789931) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
PubChem CID104789931
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-(3-ethoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
SMILESCCOc1cccc(C(NC)c2ccoc2C)c1
InChIInChI=1S/C15H19NO2/c1-4-17-13-7-5-6-12(10-13)15(16-3)14-8-9-18-11(14)2/h5-10,15-16H,4H2,1-3H3
InChIKeyWOUSJKAEOOVORA-UHFFFAOYSA-N
XLogP3.30
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethoxyphenyl)-1-(2-ethylphenyl)-N-methylmethanamine
CID 105022424
N-[(2-methylfuran-3-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 104790245
1-(2-bromo-4-methylphenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105022239
1-(2,6-dimethyl-3-pyridinyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105173207
1-(2-bromo-5-methylphenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105022211
1-(3-ethoxyphenyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 62790676
1-(2-ethoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 104789858
1-(3-ethoxyphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 60819656
1-(4-chlorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 60864424
N-methyl-1-(2-methylphenyl)-1-(3-propoxyphenyl)methanamine
CID 115794851
1-(3-ethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 79989016
1-(3,5-dimethylphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 113453366

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine?
The IUPAC name of 1-(3-ethoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine (CID 104789931) is 1-(3-ethoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine.
What is the SMILES notation for 1-(3-ethoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine?
The canonical SMILES for 1-(3-ethoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine is CCOc1cccc(C(NC)c2ccoc2C)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine?
The InChIKey is WOUSJKAEOOVORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-4-17-13-7-5-6-12(10-13)15(16-3)14-8-9-18-11(14)2/h5-10,15-16H,4H2,1-3H3.
What are the key properties of 1-(3-ethoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine?
1-(3-ethoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine has a molecular weight of 245.32 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine is sourced from PubChem (CID 104789931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).