N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine

C18H25N3O — CID 46988045

IUPACN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine
SMILESCC(C)CN(Cc1ccc2c(c1)CCO2)Cc1cnn(C)c1
InChIInChI=1S/C18H25N3O/c1-14(2)10-21(13-16-9-19-20(3)11-16)12-15-4-5-18-17(8-15)6-7-22-18/h4-5,8-9,11,14H,6-7,10,12-13H2,1-3H3
InChIKeySUQLJUCNSSNSBP-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.01
Rot. Bonds6

About N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine (PubChem CID 46988045) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine
PubChem CID46988045
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine
SMILESCC(C)CN(Cc1ccc2c(c1)CCO2)Cc1cnn(C)c1
InChIInChI=1S/C18H25N3O/c1-14(2)10-21(13-16-9-19-20(3)11-16)12-15-4-5-18-17(8-15)6-7-22-18/h4-5,8-9,11,14H,6-7,10,12-13H2,1-3H3
InChIKeySUQLJUCNSSNSBP-UHFFFAOYSA-N
XLogP3.01
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine with MolForge

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Related Compounds

2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine
CID 77096435
1-(2,3-dihydro-1-benzofuran-5-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanone
CID 61438536
2-[2-methylpropyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 132968617
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-ethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine
CID 75423791
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 65429176
3-[2-methylpropyl-[(1-methylpyrazol-4-yl)methyl]amino]propanenitrile
CID 60691101
4-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]-3-methylbutanoic acid
CID 115220019
(1R)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(4-fluorophenyl)-1-(1-methylpyrazol-4-yl)methanamine
CID 124619528
2-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 65444828
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 80683784
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 112730058
(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
CID 94032091

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine (CID 46988045) is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine is CC(C)CN(Cc1ccc2c(c1)CCO2)Cc1cnn(C)c1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is SUQLJUCNSSNSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-14(2)10-21(13-16-9-19-20(3)11-16)12-15-4-5-18-17(8-15)6-7-22-18/h4-5,8-9,11,14H,6-7,10,12-13H2,1-3H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine?
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 299.42 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 46988045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).