1-(3,4-dimethylphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine

C16H21NO — CID 62346046

IUPAC1-(3,4-dimethylphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine
SMILESCCc1ccc(C(NC)c2ccc(C)c(C)c2)o1
InChIInChI=1S/C16H21NO/c1-5-14-8-9-15(18-14)16(17-4)13-7-6-11(2)12(3)10-13/h6-10,16-17H,5H2,1-4H3
InChIKeyHGWMRZSEPCQFKN-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.77
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine

1-(3,4-dimethylphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine (PubChem CID 62346046) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine
PubChem CID62346046
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name1-(3,4-dimethylphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine
SMILESCCc1ccc(C(NC)c2ccc(C)c(C)c2)o1
InChIInChI=1S/C16H21NO/c1-5-14-8-9-15(18-14)16(17-4)13-7-6-11(2)12(3)10-13/h6-10,16-17H,5H2,1-4H3
InChIKeyHGWMRZSEPCQFKN-UHFFFAOYSA-N
XLogP3.77
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-ethylfuran-2-yl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 79095977
1-(2,3-dihydro-1H-inden-5-yl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine
CID 62346567
N-[(5-ethylfuran-2-yl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63210049
1-(5-ethylfuran-2-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 63048430
5-[(5-ethylfuran-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 79096507
1-(5-ethylfuran-2-yl)-N-methyl-1-thiophen-3-ylmethanamine
CID 62345338
1-(5-bromothiophen-3-yl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine
CID 107960959
1-(4-chloro-2,5-dimethylphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine
CID 79094310
1-(5-ethylfuran-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 62345160
1-(5-ethylfuran-2-yl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 62920362
1-(3,4-dimethylphenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018579
N-[(5-ethylfuran-2-yl)-(4-methylphenyl)methyl]ethanamine
CID 55061507

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine (CID 62346046) is 1-(3,4-dimethylphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine is CCc1ccc(C(NC)c2ccc(C)c(C)c2)o1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine?
The InChIKey is HGWMRZSEPCQFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-5-14-8-9-15(18-14)16(17-4)13-7-6-11(2)12(3)10-13/h6-10,16-17H,5H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine?
1-(3,4-dimethylphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine has a molecular weight of 243.35 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine is sourced from PubChem (CID 62346046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).