N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(3-propyltriazol-4-yl)methanamine

C16H20N4O — CID 105182186

IUPACN-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(3-propyltriazol-4-yl)methanamine
SMILESCCCn1nncc1C(NC)c1cc2cc(C)ccc2o1
InChIInChI=1S/C16H20N4O/c1-4-7-20-13(10-18-19-20)16(17-3)15-9-12-8-11(2)5-6-14(12)21-15/h5-6,8-10,16-17H,4,7H2,1-3H3
InChIKeyATNOMTCWPUNBRQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.05
Rot. Bonds5

About N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(3-propyltriazol-4-yl)methanamine

N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(3-propyltriazol-4-yl)methanamine (PubChem CID 105182186) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(3-propyltriazol-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(3-propyltriazol-4-yl)methanamine
PubChem CID105182186
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(3-propyltriazol-4-yl)methanamine
SMILESCCCn1nncc1C(NC)c1cc2cc(C)ccc2o1
InChIInChI=1S/C16H20N4O/c1-4-7-20-13(10-18-19-20)16(17-3)15-9-12-8-11(2)5-6-14(12)21-15/h5-6,8-10,16-17H,4,7H2,1-3H3
InChIKeyATNOMTCWPUNBRQ-UHFFFAOYSA-N
XLogP3.05
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluoro-5-methylphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 105038680
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114688825
(5-methyl-1-benzofuran-2-yl)-(3-propyltriazol-4-yl)methanone
CID 105129389
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-phenylmethanamine
CID 114727848
1-(3-bromo-5-methylphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 105038575
N-methyl-1-naphthalen-2-yl-1-(3-propyltriazol-4-yl)methanamine
CID 114687541
1-(3,4-dichlorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114688813
1-(4-methoxyphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114686853
1-(2,6-dimethyl-4-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 107503555
1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 106465372
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114687190
1-(1-ethylimidazol-2-yl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105149774

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(3-propyltriazol-4-yl)methanamine?
The IUPAC name of N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(3-propyltriazol-4-yl)methanamine (CID 105182186) is N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(3-propyltriazol-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(3-propyltriazol-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(3-propyltriazol-4-yl)methanamine is CCCn1nncc1C(NC)c1cc2cc(C)ccc2o1.
What is the InChIKey of N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(3-propyltriazol-4-yl)methanamine?
The InChIKey is ATNOMTCWPUNBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-4-7-20-13(10-18-19-20)16(17-3)15-9-12-8-11(2)5-6-14(12)21-15/h5-6,8-10,16-17H,4,7H2,1-3H3.
What are the key properties of N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(3-propyltriazol-4-yl)methanamine?
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(3-propyltriazol-4-yl)methanamine has a molecular weight of 284.36 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(3-propyltriazol-4-yl)methanamine is sourced from PubChem (CID 105182186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).