1-(2,5-dimethylfuran-3-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine

C17H23NO — CID 62314080

IUPAC1-(2,5-dimethylfuran-3-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine
SMILESCc1cccc(CCNC(C)c2cc(C)oc2C)c1
InChIInChI=1S/C17H23NO/c1-12-6-5-7-16(10-12)8-9-18-14(3)17-11-13(2)19-15(17)4/h5-7,10-11,14,18H,8-9H2,1-4H3
InChIKeyIBHWCDYZVRKKJO-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.10
Rot. Bonds5

About 1-(2,5-dimethylfuran-3-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine

1-(2,5-dimethylfuran-3-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine (PubChem CID 62314080) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine
PubChem CID62314080
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name1-(2,5-dimethylfuran-3-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine
SMILESCc1cccc(CCNC(C)c2cc(C)oc2C)c1
InChIInChI=1S/C17H23NO/c1-12-6-5-7-16(10-12)8-9-18-14(3)17-11-13(2)19-15(17)4/h5-7,10-11,14,18H,8-9H2,1-4H3
InChIKeyIBHWCDYZVRKKJO-UHFFFAOYSA-N
XLogP4.10
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,5-dimethylfuran-3-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(3-methylphenyl)butan-2-amine
CID 63454886
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-phenylpropan-1-amine
CID 43121361
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-phenylbutan-1-amine
CID 114333297
N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 62315169
1-(2-methoxyphenyl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 62315352
4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
4-[1-[2-(3-methylphenyl)ethylamino]ethyl]benzene-1,3-diol
CID 62314440
1-(2-ethoxyphenyl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 62315350
5-methoxy-2-[1-[2-(3-methylphenyl)ethylamino]ethyl]phenol
CID 62314441
3-methyl-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 62312988
5-fluoro-2-[1-[2-(3-methylphenyl)ethylamino]ethyl]phenol
CID 63068009
1-(4-ethylphenyl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 63477985

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine?
The IUPAC name of 1-(2,5-dimethylfuran-3-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine (CID 62314080) is 1-(2,5-dimethylfuran-3-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine?
The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine is Cc1cccc(CCNC(C)c2cc(C)oc2C)c1.
What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine?
The InChIKey is IBHWCDYZVRKKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-12-6-5-7-16(10-12)8-9-18-14(3)17-11-13(2)19-15(17)4/h5-7,10-11,14,18H,8-9H2,1-4H3.
What are the key properties of 1-(2,5-dimethylfuran-3-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine?
1-(2,5-dimethylfuran-3-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine has a molecular weight of 257.38 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylfuran-3-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine is sourced from PubChem (CID 62314080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).