N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine

C18H25N3O — CID 75382522

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
SMILESCCC(NCC1Cc2ccccc2O1)c1c(C)nn(C)c1C
InChIInChI=1S/C18H25N3O/c1-5-16(18-12(2)20-21(4)13(18)3)19-11-15-10-14-8-6-7-9-17(14)22-15/h6-9,15-16,19H,5,10-11H2,1-4H3
InChIKeyLMSIKJHKZSUSSN-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.08
Rot. Bonds5

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine (PubChem CID 75382522) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
PubChem CID75382522
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
SMILESCCC(NCC1Cc2ccccc2O1)c1c(C)nn(C)c1C
InChIInChI=1S/C18H25N3O/c1-5-16(18-12(2)20-21(4)13(18)3)19-11-15-10-14-8-6-7-9-17(14)22-15/h6-9,15-16,19H,5,10-11H2,1-4H3
InChIKeyLMSIKJHKZSUSSN-UHFFFAOYSA-N
XLogP3.08
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine (CID 75382522) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine is CCC(NCC1Cc2ccccc2O1)c1c(C)nn(C)c1C.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The InChIKey is LMSIKJHKZSUSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-5-16(18-12(2)20-21(4)13(18)3)19-11-15-10-14-8-6-7-9-17(14)22-15/h6-9,15-16,19H,5,10-11H2,1-4H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine has a molecular weight of 299.42 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 75382522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).