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

C17H21NO — CID 21374203

IUPACN-(4-butylphenyl)-1-(2,5-dimethylfuran-3-yl)methanimine
SMILESCCCCc1ccc(/N=C/c2cc(C)oc2C)cc1
InChIInChI=1S/C17H21NO/c1-4-5-6-15-7-9-17(10-8-15)18-12-16-11-13(2)19-14(16)3/h7-12H,4-6H2,1-3H3/b18-12+
InChIKeyHDVBWXQNFPFCDW-LDADJPATSA-N
MW255.36 g/mol
LogP4.99
Rot. Bonds5

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

N-(4-butylphenyl)-1-(2,5-dimethylfuran-3-yl)methanimine (PubChem CID 21374203) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(4-butylphenyl)-1-(2,5-dimethylfuran-3-yl)methanimine.

Molecular Properties

Compound NameN-(4-butylphenyl)-1-(2,5-dimethylfuran-3-yl)methanimine
PubChem CID21374203
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-(4-butylphenyl)-1-(2,5-dimethylfuran-3-yl)methanimine
SMILESCCCCc1ccc(/N=C/c2cc(C)oc2C)cc1
InChIInChI=1S/C17H21NO/c1-4-5-6-15-7-9-17(10-8-15)18-12-16-11-13(2)19-14(16)3/h7-12H,4-6H2,1-3H3/b18-12+
InChIKeyHDVBWXQNFPFCDW-LDADJPATSA-N
XLogP4.99
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-dimethylfuran-3-yl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine
CID 956032
1-(2,5-dimethylfuran-3-yl)-N-[4-(4-methylphenoxy)phenyl]methanimine
CID 956039
4-butyl-2-[[4-[(5-butyl-2-hydroxy-3-methylphenyl)methylideneamino]phenyl]iminomethyl]-6-methylphenol
CID 137143929
1-(2,5-dimethylfuran-3-yl)-N-(4-phenoxyphenyl)methanimine
CID 956036
1-(4-hexylphenyl)-N-[4-[(4-hexylphenyl)methylideneamino]phenyl]methanimine
CID 71385175
bis[4-[(4-butylphenyl)diazenyl]-3,5-dimethylphenyl]diazene
CID 100995300
N-(4-butylphenyl)-1-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methanimine
CID 126101000
2-[(4-decylphenyl)iminomethyl]-5-dodecoxyphenol
CID 136819970
5-hexoxy-2-[(4-hexylphenyl)iminomethyl]phenol
CID 4594157
N-(4-butylphenyl)-1-(4-phenoxyphenyl)methanimine
CID 71367718
(4-butylphenyl)-(2,5-dimethylfuran-3-yl)methanamine
CID 43464336
N-(4-butylphenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine
CID 50869674

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-1-(2,5-dimethylfuran-3-yl)methanimine?
The IUPAC name of N-(4-butylphenyl)-1-(2,5-dimethylfuran-3-yl)methanimine (CID 21374203) is N-(4-butylphenyl)-1-(2,5-dimethylfuran-3-yl)methanimine.
What is the SMILES notation for N-(4-butylphenyl)-1-(2,5-dimethylfuran-3-yl)methanimine?
The canonical SMILES for N-(4-butylphenyl)-1-(2,5-dimethylfuran-3-yl)methanimine is CCCCc1ccc(/N=C/c2cc(C)oc2C)cc1.
What is the InChIKey of N-(4-butylphenyl)-1-(2,5-dimethylfuran-3-yl)methanimine?
The InChIKey is HDVBWXQNFPFCDW-LDADJPATSA-N. The full InChI is InChI=1S/C17H21NO/c1-4-5-6-15-7-9-17(10-8-15)18-12-16-11-13(2)19-14(16)3/h7-12H,4-6H2,1-3H3/b18-12+.
What are the key properties of N-(4-butylphenyl)-1-(2,5-dimethylfuran-3-yl)methanimine?
N-(4-butylphenyl)-1-(2,5-dimethylfuran-3-yl)methanimine has a molecular weight of 255.36 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-1-(2,5-dimethylfuran-3-yl)methanimine is sourced from PubChem (CID 21374203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).