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

C18H28N2O — CID 63240821

IUPACN-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN(Cc2ccc3c(c2)CCO3)C1
InChIInChI=1S/C18H28N2O/c1-14(2)19-11-16-4-3-8-20(13-16)12-15-5-6-18-17(10-15)7-9-21-18/h5-6,10,14,16,19H,3-4,7-9,11-13H2,1-2H3
InChIKeyBAOYTIRGZFWVNB-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.83
Rot. Bonds5

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

N-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]methyl]propan-2-amine (PubChem CID 63240821) 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-5-ylmethyl)piperidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
PubChem CID63240821
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN(Cc2ccc3c(c2)CCO3)C1
InChIInChI=1S/C18H28N2O/c1-14(2)19-11-16-4-3-8-20(13-16)12-15-5-6-18-17(10-15)7-9-21-18/h5-6,10,14,16,19H,3-4,7-9,11-13H2,1-2H3
InChIKeyBAOYTIRGZFWVNB-UHFFFAOYSA-N
XLogP2.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 62580625
N-[[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 65446001
1-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)piperidin-3-yl]-N-methylmethanamine
CID 61204325
1-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]methyl]-3-propan-2-ylurea
CID 95206581
3-[(3R)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 29029161
1-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]ethanamine
CID 63596533
1-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]ethanol
CID 111113743
1-(2,3-dihydro-1-benzofuran-5-ylmethyl)azetidin-3-amine
CID 65244917
1-[(3S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-4-phenylpiperazine
CID 92641150
[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915626
2-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]methoxy]pyridine-4-carbonitrile
CID 139029056
N-[[1-[(6-chloro-3-pyridinyl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 63241569

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]methyl]propan-2-amine (CID 63240821) is N-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]methyl]propan-2-amine is CC(C)NCC1CCCN(Cc2ccc3c(c2)CCO3)C1.
What is the InChIKey of N-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]methyl]propan-2-amine?
The InChIKey is BAOYTIRGZFWVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14(2)19-11-16-4-3-8-20(13-16)12-15-5-6-18-17(10-15)7-9-21-18/h5-6,10,14,16,19H,3-4,7-9,11-13H2,1-2H3.
What are the key properties of N-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]methyl]propan-2-amine?
N-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]methyl]propan-2-amine has a molecular weight of 288.44 g/mol, XLogP of 2.83, 5 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-5-ylmethyl)piperidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 63240821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).