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

C18H28N2O — CID 71986943

IUPAC1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-propan-2-ylpiperidin-4-amine
SMILESCC(C)NC1CCN(CCc2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C18H28N2O/c1-14(2)19-17-6-10-20(11-7-17)9-5-15-3-4-18-16(13-15)8-12-21-18/h3-4,13-14,17,19H,5-12H2,1-2H3
InChIKeyCINWOBZPQHPAHH-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.63
Rot. Bonds5

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

1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-propan-2-ylpiperidin-4-amine (PubChem CID 71986943) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-propan-2-ylpiperidin-4-amine
PubChem CID71986943
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-propan-2-ylpiperidin-4-amine
SMILESCC(C)NC1CCN(CCc2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C18H28N2O/c1-14(2)19-17-6-10-20(11-7-17)9-5-15-3-4-18-16(13-15)8-12-21-18/h3-4,13-14,17,19H,5-12H2,1-2H3
InChIKeyCINWOBZPQHPAHH-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Apdb
CID 192601
N-(1-Methylethyl)-3-[(3-Prop-2-En-1-Ylbiphenyl-4-Yl)oxy]propan-1-Amine
CID 10591006
1-(6-{[4-(1,1-Dimethylethyl)phenyl]oxy}hexyl)piperazine
CID 410637
1-(2-(2-Ethoxyphenyl)-1-phenylethyl)piperazine
CID 11289879
1-(1-Phenyl-2-(2-propoxyphenyl)ethyl)piperazine
CID 44414723
N-butyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine
CID 56658589
1-(2,3-Dihydro-benzofuran-2-ylmethyl)-piperazine
CID 3159664
1-(2,3-Dihydrobenzofuran-5-yl)-N-methylpropan-2-amine
CID 112500533
(R)-1-(2-(2-ethoxyphenyl)-1-phenylethyl)piperazine hydrochloride
CID 16043230
N-ethyl-O-benzyl-tyramine
CID 11609001
[2-(4-Ethoxy-phenyl)-1-methyl-ethyl]-(3-phenyl-propyl)-amine
CID 15061887
1-(2-(2-Isopropoxyphenyl)-1-phenylethyl)piperazine
CID 46890391

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-propan-2-ylpiperidin-4-amine?
The IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-propan-2-ylpiperidin-4-amine (CID 71986943) is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-propan-2-ylpiperidin-4-amine?
The canonical SMILES for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-propan-2-ylpiperidin-4-amine is CC(C)NC1CCN(CCc2ccc3c(c2)CCO3)CC1.
What is the InChIKey of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-propan-2-ylpiperidin-4-amine?
The InChIKey is CINWOBZPQHPAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14(2)19-17-6-10-20(11-7-17)9-5-15-3-4-18-16(13-15)8-12-21-18/h3-4,13-14,17,19H,5-12H2,1-2H3.
What are the key properties of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-propan-2-ylpiperidin-4-amine?
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-propan-2-ylpiperidin-4-amine has a molecular weight of 288.44 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 71986943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).