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

C18H28N2O — CID 66364759

IUPACN-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]methyl]propan-1-amine
SMILESCCCNCC1CCN(CC2Cc3ccccc3O2)CC1
InChIInChI=1S/C18H28N2O/c1-2-9-19-13-15-7-10-20(11-8-15)14-17-12-16-5-3-4-6-18(16)21-17/h3-6,15,17,19H,2,7-14H2,1H3
InChIKeyDRWUIYLFVMGYIR-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.70
Rot. Bonds6

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

N-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]methyl]propan-1-amine (PubChem CID 66364759) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]methyl]propan-1-amine
PubChem CID66364759
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]methyl]propan-1-amine
SMILESCCCNCC1CCN(CC2Cc3ccccc3O2)CC1
InChIInChI=1S/C18H28N2O/c1-2-9-19-13-15-7-10-20(11-8-15)14-17-12-16-5-3-4-6-18(16)21-17/h3-6,15,17,19H,2,7-14H2,1H3
InChIKeyDRWUIYLFVMGYIR-UHFFFAOYSA-N
XLogP2.70
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]-N-methylmethanamine
CID 66363591
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]propan-1-amine
CID 51885405
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethyl-3-methylpiperidin-4-amine
CID 62234085
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)nonan-1-amine
CID 63492046
1-cyclohexyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine
CID 60752409
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-one
CID 55052644
N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]propan-1-amine
CID 62591685
N-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-ylidene]hydroxylamine
CID 66365727
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylazetidin-3-ol
CID 66363634
N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 116522162
1-(2-bromoethyl)-4-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine
CID 80675136
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',N'-diethylethane-1,2-diamine
CID 54895983

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]methyl]propan-1-amine (CID 66364759) is N-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]methyl]propan-1-amine is CCCNCC1CCN(CC2Cc3ccccc3O2)CC1.
What is the InChIKey of N-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]methyl]propan-1-amine?
The InChIKey is DRWUIYLFVMGYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-9-19-13-15-7-10-20(11-8-15)14-17-12-16-5-3-4-6-18(16)21-17/h3-6,15,17,19H,2,7-14H2,1H3.
What are the key properties of N-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]methyl]propan-1-amine?
N-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]methyl]propan-1-amine has a molecular weight of 288.44 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 66364759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).