N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine

C18H28N2O — CID 106636121

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine
SMILESCCCN(CC1CCCCN1)CC1Cc2ccccc2O1
InChIInChI=1S/C18H28N2O/c1-2-11-20(13-16-8-5-6-10-19-16)14-17-12-15-7-3-4-9-18(15)21-17/h3-4,7,9,16-17,19H,2,5-6,8,10-14H2,1H3
InChIKeyGEEBSPADFVHMJK-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.84
Rot. Bonds6

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine (PubChem CID 106636121) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine
PubChem CID106636121
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine
SMILESCCCN(CC1CCCCN1)CC1Cc2ccccc2O1
InChIInChI=1S/C18H28N2O/c1-2-11-20(13-16-8-5-6-10-19-16)14-17-12-15-7-3-4-9-18(15)21-17/h3-4,7,9,16-17,19H,2,5-6,8,10-14H2,1H3
InChIKeyGEEBSPADFVHMJK-UHFFFAOYSA-N
XLogP2.84
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106616062
1-(azepan-2-yl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)propan-2-amine
CID 79539978
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106635930
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propylpyrrolidin-3-amine
CID 66364981
1-(2,3-dihydro-1-benzofuran-2-yl)-N,N-dimethylmethanamine
CID 2842479
N-(1,3-benzoxazol-2-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615684
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propylazetidin-3-amine
CID 66363424
N-(1,2-oxazol-5-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106635999
N-benzyl-N-(piperidin-2-ylmethyl)ethanamine;dihydrochloride
CID 56831759
2-[2,3-dihydro-1-benzofuran-2-ylmethyl(ethyl)amino]acetonitrile
CID 66363771
N-(cycloheptylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604137
N-ethyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 106609150

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine (CID 106636121) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine is CCCN(CC1CCCCN1)CC1Cc2ccccc2O1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine?
The InChIKey is GEEBSPADFVHMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-11-20(13-16-8-5-6-10-19-16)14-17-12-15-7-3-4-9-18(15)21-17/h3-4,7,9,16-17,19H,2,5-6,8,10-14H2,1H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine has a molecular weight of 288.43 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106636121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).