(4-butan-2-ylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine

C18H25NO — CID 65151193

IUPAC(4-butan-2-ylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine
SMILESCCC(C)c1ccc(C(N)c2c(C)oc(C)c2C)cc1
InChIInChI=1S/C18H25NO/c1-6-11(2)15-7-9-16(10-8-15)18(19)17-12(3)13(4)20-14(17)5/h7-11,18H,6,19H2,1-5H3
InChIKeyKTAKIDITQVTTNB-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.77
Rot. Bonds4

About (4-butan-2-ylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine

(4-butan-2-ylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine (PubChem CID 65151193) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is (4-butan-2-ylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine.

Molecular Properties

Compound Name(4-butan-2-ylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine
PubChem CID65151193
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name(4-butan-2-ylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine
SMILESCCC(C)c1ccc(C(N)c2c(C)oc(C)c2C)cc1
InChIInChI=1S/C18H25NO/c1-6-11(2)15-7-9-16(10-8-15)18(19)17-12(3)13(4)20-14(17)5/h7-11,18H,6,19H2,1-5H3
InChIKeyKTAKIDITQVTTNB-UHFFFAOYSA-N
XLogP4.77
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl-(2,4,5-trimethylfuran-3-yl)methanamine
CID 65151589
(4-butan-2-ylphenyl)-(2,4,6-trifluorophenyl)methanamine
CID 65101153
(1S)-1-[4-[(2S)-butan-2-yl]phenyl]ethanamine
CID 7026226
(4-bromophenyl)-(4-butan-2-ylphenyl)methanamine
CID 43096152
(4-butan-2-ylphenyl)-(3,4-dimethylphenyl)methanamine
CID 43108648
(4-butan-2-ylphenyl)-(4-methoxyphenyl)methanamine
CID 43198098
1-(4-butan-2-ylphenyl)-2-methylpropan-1-amine
CID 4962685
1-(4-butan-2-ylphenyl)-N'-methylmethanediamine
CID 116939281
1-(4-butan-2-ylphenyl)-3-methylbutan-1-amine
CID 43097162
(5-butan-2-yl-3-methyl-1-benzofuran-2-yl)methanamine
CID 107668321
1-butan-2-yl-4-methylbenzene;molecular hydrogen;propane
CID 144517328
1-(4-butan-2-ylphenyl)pentane-1,4-diamine
CID 116934302

Frequently Asked Questions

What is the IUPAC name of (4-butan-2-ylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine?
The IUPAC name of (4-butan-2-ylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine (CID 65151193) is (4-butan-2-ylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine.
What is the SMILES notation for (4-butan-2-ylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine?
The canonical SMILES for (4-butan-2-ylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine is CCC(C)c1ccc(C(N)c2c(C)oc(C)c2C)cc1.
What is the InChIKey of (4-butan-2-ylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine?
The InChIKey is KTAKIDITQVTTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-6-11(2)15-7-9-16(10-8-15)18(19)17-12(3)13(4)20-14(17)5/h7-11,18H,6,19H2,1-5H3.
What are the key properties of (4-butan-2-ylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine?
(4-butan-2-ylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine has a molecular weight of 271.40 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butan-2-ylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine is sourced from PubChem (CID 65151193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).