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

C19H25NO — CID 105044978

IUPAC1-(4-cyclobutylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
SMILESCNC(c1ccc(C2CCC2)cc1)c1c(C)oc(C)c1C
InChIInChI=1S/C19H25NO/c1-12-13(2)21-14(3)18(12)19(20-4)17-10-8-16(9-11-17)15-6-5-7-15/h8-11,15,19-20H,5-7H2,1-4H3
InChIKeyNVOMWTQVYUWKCG-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.78
Rot. Bonds4

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

1-(4-cyclobutylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine (PubChem CID 105044978) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-(4-cyclobutylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine.

Molecular Properties

Compound Name1-(4-cyclobutylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
PubChem CID105044978
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name1-(4-cyclobutylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
SMILESCNC(c1ccc(C2CCC2)cc1)c1c(C)oc(C)c1C
InChIInChI=1S/C19H25NO/c1-12-13(2)21-14(3)18(12)19(20-4)17-10-8-16(9-11-17)15-6-5-7-15/h8-11,15,19-20H,5-7H2,1-4H3
InChIKeyNVOMWTQVYUWKCG-UHFFFAOYSA-N
XLogP4.78
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-cyclobutylphenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 116506024
1-(4-cyclobutylphenyl)-1-(3,5-dichlorophenyl)-N-methylmethanamine
CID 105045036
1-(4-cyclobutylphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 105044965
1-(4-butylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 65151645
1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 65153328
1-(4-cyclobutylphenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine
CID 105044930
1-(4-cyclobutylphenyl)-1-cyclopropyl-N-methylmethanamine
CID 116505983
1-(4-cyclobutylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 116506091
1-(4-cyclohexylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 43484975
1-(4-bromo-3-fluorophenyl)-1-(4-cyclobutylphenyl)-N-methylmethanamine
CID 105044859
1-(4-cyclobutylphenyl)-1-(2-ethylphenyl)-N-methylmethanamine
CID 105045096
1-(4-cyclohexylphenyl)-N,N'-dimethylmethanediamine
CID 116954314

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine?
The IUPAC name of 1-(4-cyclobutylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine (CID 105044978) is 1-(4-cyclobutylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine.
What is the SMILES notation for 1-(4-cyclobutylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine?
The canonical SMILES for 1-(4-cyclobutylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine is CNC(c1ccc(C2CCC2)cc1)c1c(C)oc(C)c1C.
What is the InChIKey of 1-(4-cyclobutylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine?
The InChIKey is NVOMWTQVYUWKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-12-13(2)21-14(3)18(12)19(20-4)17-10-8-16(9-11-17)15-6-5-7-15/h8-11,15,19-20H,5-7H2,1-4H3.
What are the key properties of 1-(4-cyclobutylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine?
1-(4-cyclobutylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine has a molecular weight of 283.42 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine is sourced from PubChem (CID 105044978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).