N-[(2-ethyl-2,3-dihydro-1-benzofuran-3-yl)methyl]-3-morpholin-4-ylpropan-1-amine

C18H28N2O2 — CID 3023238

IUPACN-[(2-ethyl-2,3-dihydro-1-benzofuran-3-yl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESCCC1Oc2ccccc2C1CNCCCN1CCOCC1
InChIInChI=1S/C18H28N2O2/c1-2-17-16(15-6-3-4-7-18(15)22-17)14-19-8-5-9-20-10-12-21-13-11-20/h3-4,6-7,16-17,19H,2,5,8-14H2,1H3
InChIKeyWIKYYQQXCBSCRU-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.25
Rot. Bonds7

About N-[(2-ethyl-2,3-dihydro-1-benzofuran-3-yl)methyl]-3-morpholin-4-ylpropan-1-amine

N-[(2-ethyl-2,3-dihydro-1-benzofuran-3-yl)methyl]-3-morpholin-4-ylpropan-1-amine (PubChem CID 3023238) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[(2-ethyl-2,3-dihydro-1-benzofuran-3-yl)methyl]-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-ethyl-2,3-dihydro-1-benzofuran-3-yl)methyl]-3-morpholin-4-ylpropan-1-amine
PubChem CID3023238
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[(2-ethyl-2,3-dihydro-1-benzofuran-3-yl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESCCC1Oc2ccccc2C1CNCCCN1CCOCC1
InChIInChI=1S/C18H28N2O2/c1-2-17-16(15-6-3-4-7-18(15)22-17)14-19-8-5-9-20-10-12-21-13-11-20/h3-4,6-7,16-17,19H,2,5,8-14H2,1H3
InChIKeyWIKYYQQXCBSCRU-UHFFFAOYSA-N
XLogP2.25
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-2,3-dihydro-1-benzofuran-3-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[(2-ethyl-2,3-dihydro-1-benzofuran-3-yl)methyl]-3-morpholin-4-ylpropan-1-amine (CID 3023238) is N-[(2-ethyl-2,3-dihydro-1-benzofuran-3-yl)methyl]-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[(2-ethyl-2,3-dihydro-1-benzofuran-3-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[(2-ethyl-2,3-dihydro-1-benzofuran-3-yl)methyl]-3-morpholin-4-ylpropan-1-amine is CCC1Oc2ccccc2C1CNCCCN1CCOCC1.
What is the InChIKey of N-[(2-ethyl-2,3-dihydro-1-benzofuran-3-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The InChIKey is WIKYYQQXCBSCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-2-17-16(15-6-3-4-7-18(15)22-17)14-19-8-5-9-20-10-12-21-13-11-20/h3-4,6-7,16-17,19H,2,5,8-14H2,1H3.
What are the key properties of N-[(2-ethyl-2,3-dihydro-1-benzofuran-3-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
N-[(2-ethyl-2,3-dihydro-1-benzofuran-3-yl)methyl]-3-morpholin-4-ylpropan-1-amine has a molecular weight of 304.43 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-2,3-dihydro-1-benzofuran-3-yl)methyl]-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 3023238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).