1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(3-propylphenyl)methanamine

C17H23NO — CID 105050302

IUPAC1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(3-propylphenyl)methanamine
SMILESCCCc1cccc(C(NC)c2cc(C)oc2C)c1
InChIInChI=1S/C17H23NO/c1-5-7-14-8-6-9-15(11-14)17(18-4)16-10-12(2)19-13(16)3/h6,8-11,17-18H,5,7H2,1-4H3
InChIKeyUGQSEFGUJGNBTN-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.16
Rot. Bonds5

About 1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(3-propylphenyl)methanamine

1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(3-propylphenyl)methanamine (PubChem CID 105050302) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(3-propylphenyl)methanamine.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(3-propylphenyl)methanamine
PubChem CID105050302
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(3-propylphenyl)methanamine
SMILESCCCc1cccc(C(NC)c2cc(C)oc2C)c1
InChIInChI=1S/C17H23NO/c1-5-7-14-8-6-9-15(11-14)17(18-4)16-10-12(2)19-13(16)3/h6,8-11,17-18H,5,7H2,1-4H3
InChIKeyUGQSEFGUJGNBTN-UHFFFAOYSA-N
XLogP4.16
TPSA25.17 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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-butylphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 43484298
N-[(2,5-dimethylfuran-3-yl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 105050768
1-(2-bromophenyl)-N-methyl-1-(3-propylphenyl)methanamine
CID 116544137
1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-(3-propylphenyl)methanamine
CID 105187892
1-(2-methoxyphenyl)-N-methyl-1-(3-propylphenyl)methanamine
CID 116543823
N-methyl-1-(4-propan-2-ylphenyl)-1-(3-propylphenyl)methanamine
CID 116543873
1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-propylphenyl)methanamine
CID 105050563
1-(4-bromo-3-methylphenyl)-N-methyl-1-(3-propylphenyl)methanamine
CID 105050441
N-methyl-1-(3-propylphenyl)-1-pyrimidin-5-ylmethanamine
CID 102923924
N-methyl-1-(3-propylphenyl)ethanamine
CID 59900502
1-(4-bromo-3-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 81290766
N-methyl-1-(3-methyl-2-pyridinyl)-1-(3-propylphenyl)methanamine
CID 116544148

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(3-propylphenyl)methanamine?
The IUPAC name of 1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(3-propylphenyl)methanamine (CID 105050302) is 1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(3-propylphenyl)methanamine.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(3-propylphenyl)methanamine?
The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(3-propylphenyl)methanamine is CCCc1cccc(C(NC)c2cc(C)oc2C)c1.
What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(3-propylphenyl)methanamine?
The InChIKey is UGQSEFGUJGNBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-5-7-14-8-6-9-15(11-14)17(18-4)16-10-12(2)19-13(16)3/h6,8-11,17-18H,5,7H2,1-4H3.
What are the key properties of 1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(3-propylphenyl)methanamine?
1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(3-propylphenyl)methanamine has a molecular weight of 257.38 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(3-propylphenyl)methanamine is sourced from PubChem (CID 105050302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).