1-(4-butylphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine

C18H25NO — CID 43484298

IUPAC1-(4-butylphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
SMILESCCCCc1ccc(C(NC)c2cc(C)oc2C)cc1
InChIInChI=1S/C18H25NO/c1-5-6-7-15-8-10-16(11-9-15)18(19-4)17-12-13(2)20-14(17)3/h8-12,18-19H,5-7H2,1-4H3
InChIKeyPWCARDUDNCEGIS-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.55
Rot. Bonds6

About 1-(4-butylphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine

1-(4-butylphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine (PubChem CID 43484298) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-(4-butylphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-butylphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
PubChem CID43484298
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name1-(4-butylphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
SMILESCCCCc1ccc(C(NC)c2cc(C)oc2C)cc1
InChIInChI=1S/C18H25NO/c1-5-6-7-15-8-10-16(11-9-15)18(19-4)17-12-13(2)20-14(17)3/h8-12,18-19H,5-7H2,1-4H3
InChIKeyPWCARDUDNCEGIS-UHFFFAOYSA-N
XLogP4.55
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-butylphenyl)-(2,5-dimethylfuran-3-yl)methanamine
CID 43464336
1-(4-butylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 65151645
1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(3-propylphenyl)methanamine
CID 105050302
1-(2-bromo-5-methylphenyl)-1-(4-butylphenyl)-N-methylmethanamine
CID 81110681
1-(4-butylphenyl)-1-(2-chlorophenyl)-N-methylmethanamine
CID 43484310
1-(4-bromo-2-chlorophenyl)-1-(4-butylphenyl)-N-methylmethanamine
CID 43805236
(2,5-dimethylfuran-3-yl)-(4-propylphenyl)methanamine
CID 43384416
3-[chloro-(4-propylphenyl)methyl]-2,5-dimethylfuran
CID 63432646
1-(4-bromo-3-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 81290766
1-(2-bromo-4-fluorophenyl)-1-(4-butylphenyl)-N-methylmethanamine
CID 43484374
1-(4-butylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 43484333
1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
CID 114820181

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-butylphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine (CID 43484298) is 1-(4-butylphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-butylphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-butylphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine is CCCCc1ccc(C(NC)c2cc(C)oc2C)cc1.
What is the InChIKey of 1-(4-butylphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine?
The InChIKey is PWCARDUDNCEGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-5-6-7-15-8-10-16(11-9-15)18(19-4)17-12-13(2)20-14(17)3/h8-12,18-19H,5-7H2,1-4H3.
What are the key properties of 1-(4-butylphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine?
1-(4-butylphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine has a molecular weight of 271.40 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine is sourced from PubChem (CID 43484298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).