1-[5-[3-[(dimethylamino)methyl]phenyl]furan-2-yl]ethanamine

C15H20N2O — CID 82541595

IUPAC1-[5-[3-[(dimethylamino)methyl]phenyl]furan-2-yl]ethanamine
SMILESCC(N)c1ccc(-c2cccc(CN(C)C)c2)o1
InChIInChI=1S/C15H20N2O/c1-11(16)14-7-8-15(18-14)13-6-4-5-12(9-13)10-17(2)3/h4-9,11H,10,16H2,1-3H3
InChIKeyWRUVRHJYXUEUOR-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.03
Rot. Bonds4

About 1-[5-[3-[(dimethylamino)methyl]phenyl]furan-2-yl]ethanamine

1-[5-[3-[(dimethylamino)methyl]phenyl]furan-2-yl]ethanamine (PubChem CID 82541595) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-[5-[3-[(dimethylamino)methyl]phenyl]furan-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-[3-[(dimethylamino)methyl]phenyl]furan-2-yl]ethanamine
PubChem CID82541595
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-[5-[3-[(dimethylamino)methyl]phenyl]furan-2-yl]ethanamine
SMILESCC(N)c1ccc(-c2cccc(CN(C)C)c2)o1
InChIInChI=1S/C15H20N2O/c1-11(16)14-7-8-15(18-14)13-6-4-5-12(9-13)10-17(2)3/h4-9,11H,10,16H2,1-3H3
InChIKeyWRUVRHJYXUEUOR-UHFFFAOYSA-N
XLogP3.03
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(3-fluorophenyl)furan-2-yl]ethanamine
CID 62498738
(1R)-1-(5-phenylfuran-2-yl)ethanamine
CID 28804251
1-(5-phenylfuran-2-yl)ethanamine
CID 3028403
1-[5-[3-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethanamine
CID 82541591
1-[5-(3-ethylphenyl)furan-2-yl]-N-methylethanamine
CID 62498081
1-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]ethanamine
CID 82541578
1-[5-[3-(methoxymethyl)phenyl]furan-2-yl]-N-methylethanamine
CID 55084099
1-[4-[3-[(dimethylamino)methyl]phenyl]phenyl]-N-methylpropan-2-amine
CID 82540027
1-[5-(3-fluoro-5-methylphenyl)furan-2-yl]ethanamine
CID 79049528
(1R)-1-(5-ethylfuran-2-yl)ethanamine
CID 55276275
3-[3-[(dimethylamino)methyl]phenyl]benzohydrazide
CID 177345259
4-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazol-2-amine
CID 88924668

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-[(dimethylamino)methyl]phenyl]furan-2-yl]ethanamine?
The IUPAC name of 1-[5-[3-[(dimethylamino)methyl]phenyl]furan-2-yl]ethanamine (CID 82541595) is 1-[5-[3-[(dimethylamino)methyl]phenyl]furan-2-yl]ethanamine.
What is the SMILES notation for 1-[5-[3-[(dimethylamino)methyl]phenyl]furan-2-yl]ethanamine?
The canonical SMILES for 1-[5-[3-[(dimethylamino)methyl]phenyl]furan-2-yl]ethanamine is CC(N)c1ccc(-c2cccc(CN(C)C)c2)o1.
What is the InChIKey of 1-[5-[3-[(dimethylamino)methyl]phenyl]furan-2-yl]ethanamine?
The InChIKey is WRUVRHJYXUEUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11(16)14-7-8-15(18-14)13-6-4-5-12(9-13)10-17(2)3/h4-9,11H,10,16H2,1-3H3.
What are the key properties of 1-[5-[3-[(dimethylamino)methyl]phenyl]furan-2-yl]ethanamine?
1-[5-[3-[(dimethylamino)methyl]phenyl]furan-2-yl]ethanamine has a molecular weight of 244.34 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-[(dimethylamino)methyl]phenyl]furan-2-yl]ethanamine is sourced from PubChem (CID 82541595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).