N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methylpiperidin-4-amine

C16H24N2O — CID 65431601

IUPACN-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NCCc2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C16H24N2O/c1-18-9-5-15(6-10-18)17-8-4-13-2-3-16-14(12-13)7-11-19-16/h2-3,12,15,17H,4-11H2,1H3
InChIKeyFNIJRRHSGZCHCW-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.85
Rot. Bonds4

About N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methylpiperidin-4-amine

N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methylpiperidin-4-amine (PubChem CID 65431601) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methylpiperidin-4-amine
PubChem CID65431601
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NCCc2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C16H24N2O/c1-18-9-5-15(6-10-18)17-8-4-13-2-3-16-14(12-13)7-11-19-16/h2-3,12,15,17H,4-11H2,1H3
InChIKeyFNIJRRHSGZCHCW-UHFFFAOYSA-N
XLogP1.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1,1-dioxothian-4-amine
CID 65431787
(3S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 97055514
N-[6-(2,3-dihydro-1-benzofuran-5-yl)hexyl]cyclopropanamine
CID 65308356
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]oxan-3-amine
CID 65447112
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 75428219
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,2-dimethylcyclopentan-1-amine
CID 79870440
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methoxycyclopentan-1-amine
CID 65446730
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpropan-2-amine
CID 64866852
[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]cyclohexyl]methanol
CID 104934379
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120971253
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-dimethylpiperidin-4-amine
CID 81295796
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 60923933

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methylpiperidin-4-amine (CID 65431601) is N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methylpiperidin-4-amine is CN1CCC(NCCc2ccc3c(c2)CCO3)CC1.
What is the InChIKey of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methylpiperidin-4-amine?
The InChIKey is FNIJRRHSGZCHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-18-9-5-15(6-10-18)17-8-4-13-2-3-16-14(12-13)7-11-19-16/h2-3,12,15,17H,4-11H2,1H3.
What are the key properties of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methylpiperidin-4-amine?
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methylpiperidin-4-amine has a molecular weight of 260.38 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 65431601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).