N-ethyl-4-phenyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine

C19H27NO — CID 115849308

IUPACN-ethyl-4-phenyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine
SMILESCCNC(CCCc1ccccc1)c1c(C)oc(C)c1C
InChIInChI=1S/C19H27NO/c1-5-20-18(19-14(2)15(3)21-16(19)4)13-9-12-17-10-7-6-8-11-17/h6-8,10-11,18,20H,5,9,12-13H2,1-4H3
InChIKeyXIKPGVOBNCIRBV-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.88
Rot. Bonds7

About N-ethyl-4-phenyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine

N-ethyl-4-phenyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine (PubChem CID 115849308) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is N-ethyl-4-phenyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-phenyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine
PubChem CID115849308
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC NameN-ethyl-4-phenyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine
SMILESCCNC(CCCc1ccccc1)c1c(C)oc(C)c1C
InChIInChI=1S/C19H27NO/c1-5-20-18(19-14(2)15(3)21-16(19)4)13-9-12-17-10-7-6-8-11-17/h6-8,10-11,18,20H,5,9,12-13H2,1-4H3
InChIKeyXIKPGVOBNCIRBV-UHFFFAOYSA-N
XLogP4.88
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-4-phenyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine 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-ethyl-1-(4-methylphenyl)-4-phenylbutan-1-amine
CID 63411938
N-ethyl-2-(3-methylphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 65152804
N-ethyl-4-ethylsulfonyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine
CID 115865157
N-ethyl-1-(3-methylphenyl)-4-phenylbutan-1-amine
CID 63413344
N-ethyl-2-(2-methylphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 65153346
1-(2,6-dimethyl-3-pyridinyl)-N-ethyl-4-phenylbutan-1-amine
CID 105139820
1-(2-chloro-4-methylphenyl)-N-ethyl-4-phenylbutan-1-amine
CID 106857406
[2-phenyl-1-(2,4,5-trimethylfuran-3-yl)ethyl]hydrazine
CID 105283083
N-ethyl-3-(1-methylpyrazol-4-yl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine
CID 103030288
3-cyclopropyl-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine
CID 104994734
2-(3,4-dimethylphenyl)-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 65152951
N-ethyl-2,2-dimethyl-6-phenylhexan-3-amine
CID 62600038

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-phenyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine?
The IUPAC name of N-ethyl-4-phenyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine (CID 115849308) is N-ethyl-4-phenyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-4-phenyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine?
The canonical SMILES for N-ethyl-4-phenyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine is CCNC(CCCc1ccccc1)c1c(C)oc(C)c1C.
What is the InChIKey of N-ethyl-4-phenyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine?
The InChIKey is XIKPGVOBNCIRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-5-20-18(19-14(2)15(3)21-16(19)4)13-9-12-17-10-7-6-8-11-17/h6-8,10-11,18,20H,5,9,12-13H2,1-4H3.
What are the key properties of N-ethyl-4-phenyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine?
N-ethyl-4-phenyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine has a molecular weight of 285.43 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-phenyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine is sourced from PubChem (CID 115849308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).