N-[(3,4-dimethylphenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine

C19H27NO — CID 65153418

IUPACN-[(3,4-dimethylphenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)c(C)c1)c1c(C)oc(C)c1C
InChIInChI=1S/C19H27NO/c1-7-10-20-19(17-9-8-12(2)13(3)11-17)18-14(4)15(5)21-16(18)6/h8-9,11,19-20H,7,10H2,1-6H3
InChIKeyWFHPGLMMQARVPA-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.91
Rot. Bonds5

About N-[(3,4-dimethylphenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine

N-[(3,4-dimethylphenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine (PubChem CID 65153418) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine
PubChem CID65153418
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC NameN-[(3,4-dimethylphenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)c(C)c1)c1c(C)oc(C)c1C
InChIInChI=1S/C19H27NO/c1-7-10-20-19(17-9-8-12(2)13(3)11-17)18-14(4)15(5)21-16(18)6/h8-9,11,19-20H,7,10H2,1-6H3
InChIKeyWFHPGLMMQARVPA-UHFFFAOYSA-N
XLogP4.91
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-dimethylphenyl)-(4-iodophenyl)methyl]propan-1-amine
CID 43493978
N-[(3,4-dimethylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43494021
N-[(4-fluoro-2-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine
CID 115852570
N-[(3,4-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 43494013
N-[(3,4-dimethylphenyl)-(3-iodophenyl)methyl]propan-1-amine
CID 43493977
N-[(3-fluoro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63413566
N-[(2,4-dichlorophenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine
CID 65153469
N-[(2,4-difluorophenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine
CID 65152876
N-[(4-fluoro-3-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 60929622
N-[(2,5-dimethylthiophen-3-yl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine
CID 65152926
3-[chloro-(3,4-dimethylphenyl)methyl]-2,4,5-trimethylfuran
CID 65152086
N-[(3-chloro-4-methoxyphenyl)-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine
CID 65152874

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3,4-dimethylphenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine (CID 65153418) is N-[(3,4-dimethylphenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,4-dimethylphenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,4-dimethylphenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine is CCCNC(c1ccc(C)c(C)c1)c1c(C)oc(C)c1C.
What is the InChIKey of N-[(3,4-dimethylphenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine?
The InChIKey is WFHPGLMMQARVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-7-10-20-19(17-9-8-12(2)13(3)11-17)18-14(4)15(5)21-16(18)6/h8-9,11,19-20H,7,10H2,1-6H3.
What are the key properties of N-[(3,4-dimethylphenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine?
N-[(3,4-dimethylphenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine has a molecular weight of 285.43 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 65153418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).