1-(1-benzofuran-2-yl)-N-methyl-1-(4-propylphenyl)methanamine

C19H21NO — CID 63089906

IUPAC1-(1-benzofuran-2-yl)-N-methyl-1-(4-propylphenyl)methanamine
SMILESCCCc1ccc(C(NC)c2cc3ccccc3o2)cc1
InChIInChI=1S/C19H21NO/c1-3-6-14-9-11-15(12-10-14)19(20-2)18-13-16-7-4-5-8-17(16)21-18/h4-5,7-13,19-20H,3,6H2,1-2H3
InChIKeySWWPWKZMDRZKRL-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.69
Rot. Bonds5

About 1-(1-benzofuran-2-yl)-N-methyl-1-(4-propylphenyl)methanamine

1-(1-benzofuran-2-yl)-N-methyl-1-(4-propylphenyl)methanamine (PubChem CID 63089906) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-methyl-1-(4-propylphenyl)methanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-methyl-1-(4-propylphenyl)methanamine
PubChem CID63089906
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name1-(1-benzofuran-2-yl)-N-methyl-1-(4-propylphenyl)methanamine
SMILESCCCc1ccc(C(NC)c2cc3ccccc3o2)cc1
InChIInChI=1S/C19H21NO/c1-3-6-14-9-11-15(12-10-14)19(20-2)18-13-16-7-4-5-8-17(16)21-18/h4-5,7-13,19-20H,3,6H2,1-2H3
InChIKeySWWPWKZMDRZKRL-UHFFFAOYSA-N
XLogP4.69
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzofuran-2-yl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 63091128
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-phenylmethanamine
CID 114727848
N-[1-benzofuran-2-yl-(2,5-dichlorophenyl)methyl]ethanamine
CID 63418365
1-(3,5-dibromophenyl)-N-methyl-1-(4-propylphenyl)methanamine
CID 107975019
1-(1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine
CID 79444773
1-(1-benzofuran-2-yl)-N-methyl-2-phenylbutan-1-amine
CID 105044033
1-(1-benzofuran-2-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 105044001
1-(1-benzofuran-2-yl)-1-(3-chloro-2-methylphenyl)-N-methylmethanamine
CID 107103108
1-(1-benzofuran-2-yl)-2,2-difluoro-N-methylethanamine
CID 103759858
1-(1-benzofuran-2-yl)-N-methyl-2-phenylethanamine
CID 61064024
1-(1-benzofuran-2-yl)-N-methyldecan-1-amine
CID 63418238
1-(5-propyl-1-benzofuran-2-yl)ethanamine
CID 65439611

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-methyl-1-(4-propylphenyl)methanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-methyl-1-(4-propylphenyl)methanamine (CID 63089906) is 1-(1-benzofuran-2-yl)-N-methyl-1-(4-propylphenyl)methanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-methyl-1-(4-propylphenyl)methanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-methyl-1-(4-propylphenyl)methanamine is CCCc1ccc(C(NC)c2cc3ccccc3o2)cc1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-methyl-1-(4-propylphenyl)methanamine?
The InChIKey is SWWPWKZMDRZKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-3-6-14-9-11-15(12-10-14)19(20-2)18-13-16-7-4-5-8-17(16)21-18/h4-5,7-13,19-20H,3,6H2,1-2H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N-methyl-1-(4-propylphenyl)methanamine?
1-(1-benzofuran-2-yl)-N-methyl-1-(4-propylphenyl)methanamine has a molecular weight of 279.38 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-N-methyl-1-(4-propylphenyl)methanamine is sourced from PubChem (CID 63089906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).