(4-butylphenyl)-(2,5-dimethylfuran-3-yl)methanamine

C17H23NO — CID 43464336

IUPAC(4-butylphenyl)-(2,5-dimethylfuran-3-yl)methanamine
SMILESCCCCc1ccc(C(N)c2cc(C)oc2C)cc1
InChIInChI=1S/C17H23NO/c1-4-5-6-14-7-9-15(10-8-14)17(18)16-11-12(2)19-13(16)3/h7-11,17H,4-6,18H2,1-3H3
InChIKeyKXSOLIKYHBKOGD-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.29
Rot. Bonds5

About (4-butylphenyl)-(2,5-dimethylfuran-3-yl)methanamine

(4-butylphenyl)-(2,5-dimethylfuran-3-yl)methanamine (PubChem CID 43464336) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is (4-butylphenyl)-(2,5-dimethylfuran-3-yl)methanamine.

Molecular Properties

Compound Name(4-butylphenyl)-(2,5-dimethylfuran-3-yl)methanamine
PubChem CID43464336
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name(4-butylphenyl)-(2,5-dimethylfuran-3-yl)methanamine
SMILESCCCCc1ccc(C(N)c2cc(C)oc2C)cc1
InChIInChI=1S/C17H23NO/c1-4-5-6-14-7-9-15(10-8-14)17(18)16-11-12(2)19-13(16)3/h7-11,17H,4-6,18H2,1-3H3
InChIKeyKXSOLIKYHBKOGD-UHFFFAOYSA-N
XLogP4.29
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dimethylfuran-3-yl)-(4-propylphenyl)methanamine
CID 43384416
1-(4-butylphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 43484298
3-[chloro-(4-propylphenyl)methyl]-2,5-dimethylfuran
CID 63432646
(2-bromo-5-methylphenyl)-(4-butylphenyl)methanamine
CID 81111134
(4-bromo-2-methylphenyl)-(4-butylphenyl)methanamine
CID 43629735
(2-bromo-5-fluorophenyl)-(4-butylphenyl)methanamine
CID 43096393
(2,5-dimethylfuran-3-yl)-(3-propoxyphenyl)methanamine
CID 62919680
(2,5-dimethylfuran-3-yl)-[2,4-di(propan-2-yl)phenyl]methanamine
CID 43464318
2,3-dihydro-1,4-benzodioxin-6-yl-(2,5-dimethylfuran-3-yl)methanamine
CID 43463994
(5-bromothiophen-3-yl)-(4-butylphenyl)methanamine
CID 107960521
diethyl 2-(4-butylphenyl)propanedioate
CID 14527868
1-benzothiophen-3-yl-(4-butylphenyl)methanamine
CID 63523268

Frequently Asked Questions

What is the IUPAC name of (4-butylphenyl)-(2,5-dimethylfuran-3-yl)methanamine?
The IUPAC name of (4-butylphenyl)-(2,5-dimethylfuran-3-yl)methanamine (CID 43464336) is (4-butylphenyl)-(2,5-dimethylfuran-3-yl)methanamine.
What is the SMILES notation for (4-butylphenyl)-(2,5-dimethylfuran-3-yl)methanamine?
The canonical SMILES for (4-butylphenyl)-(2,5-dimethylfuran-3-yl)methanamine is CCCCc1ccc(C(N)c2cc(C)oc2C)cc1.
What is the InChIKey of (4-butylphenyl)-(2,5-dimethylfuran-3-yl)methanamine?
The InChIKey is KXSOLIKYHBKOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-4-5-6-14-7-9-15(10-8-14)17(18)16-11-12(2)19-13(16)3/h7-11,17H,4-6,18H2,1-3H3.
What are the key properties of (4-butylphenyl)-(2,5-dimethylfuran-3-yl)methanamine?
(4-butylphenyl)-(2,5-dimethylfuran-3-yl)methanamine has a molecular weight of 257.38 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylphenyl)-(2,5-dimethylfuran-3-yl)methanamine is sourced from PubChem (CID 43464336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).