1-(4-butylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine

C19H27NO — CID 65151645

IUPAC1-(4-butylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
SMILESCCCCc1ccc(C(NC)c2c(C)oc(C)c2C)cc1
InChIInChI=1S/C19H27NO/c1-6-7-8-16-9-11-17(12-10-16)19(20-5)18-13(2)14(3)21-15(18)4/h9-12,19-20H,6-8H2,1-5H3
InChIKeyBIWHDKIDQQLSEL-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.86
Rot. Bonds6

About 1-(4-butylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine

1-(4-butylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine (PubChem CID 65151645) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-(4-butylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine.

Molecular Properties

Compound Name1-(4-butylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
PubChem CID65151645
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name1-(4-butylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
SMILESCCCCc1ccc(C(NC)c2c(C)oc(C)c2C)cc1
InChIInChI=1S/C19H27NO/c1-6-7-8-16-9-11-17(12-10-16)19(20-5)18-13(2)14(3)21-15(18)4/h9-12,19-20H,6-8H2,1-5H3
InChIKeyBIWHDKIDQQLSEL-UHFFFAOYSA-N
XLogP4.86
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-butylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine 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

3-[(4-butylphenyl)-chloromethyl]-2,4,5-trimethylfuran
CID 65152676
1-(4-butylphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 43484298
1-(4-butylphenyl)-1-(2-chlorophenyl)-N-methylmethanamine
CID 43484310
1-(4-butylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 43484333
1-(2-bromo-5-methylphenyl)-1-(4-butylphenyl)-N-methylmethanamine
CID 81110681
N-[(4-butylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine
CID 79094480
1-(2,5-diethylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 65153377
N-[(4-butylphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 43491214
N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 105050775
1-(4-butylphenyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
CID 79985540
1-(4-bromo-2-chlorophenyl)-1-(4-butylphenyl)-N-methylmethanamine
CID 43805236
N-[(4-butylphenyl)-pyridin-4-ylmethyl]ethanamine
CID 43491200

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine?
The IUPAC name of 1-(4-butylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine (CID 65151645) is 1-(4-butylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine.
What is the SMILES notation for 1-(4-butylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine?
The canonical SMILES for 1-(4-butylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine is CCCCc1ccc(C(NC)c2c(C)oc(C)c2C)cc1.
What is the InChIKey of 1-(4-butylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine?
The InChIKey is BIWHDKIDQQLSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-6-7-8-16-9-11-17(12-10-16)19(20-5)18-13(2)14(3)21-15(18)4/h9-12,19-20H,6-8H2,1-5H3.
What are the key properties of 1-(4-butylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine?
1-(4-butylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine has a molecular weight of 285.43 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine is sourced from PubChem (CID 65151645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).