N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-morpholin-3-ylethanamine

C15H22N2O2 — CID 115238964

IUPACN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-morpholin-3-ylethanamine
SMILESc1cc2c(cc1CNCCC1COCCN1)CCO2
InChIInChI=1S/C15H22N2O2/c1-2-15-13(4-7-19-15)9-12(1)10-16-5-3-14-11-18-8-6-17-14/h1-2,9,14,16-17H,3-8,10-11H2
InChIKeyDGVQDVLTAJVOSC-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.09
Rot. Bonds5

About N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-morpholin-3-ylethanamine

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-morpholin-3-ylethanamine (PubChem CID 115238964) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-morpholin-3-ylethanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-morpholin-3-ylethanamine
PubChem CID115238964
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-morpholin-3-ylethanamine
SMILESc1cc2c(cc1CNCCC1COCCN1)CCO2
InChIInChI=1S/C15H22N2O2/c1-2-15-13(4-7-19-15)9-12(1)10-16-5-3-14-11-18-8-6-17-14/h1-2,9,14,16-17H,3-8,10-11H2
InChIKeyDGVQDVLTAJVOSC-UHFFFAOYSA-N
XLogP1.09
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-methylphenyl)methyl]-2-morpholin-3-ylethanamine
CID 115238968
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-piperidin-3-ylethanamine
CID 115211376
N-[(4-methoxyphenyl)methyl]-2-morpholin-3-ylethanamine
CID 115238941
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-morpholin-3-ylethanamine
CID 115238945
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-morpholin-4-ylethanamine
CID 43804102
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 60923933
(2,3-dihydro-1-benzofuran-5-ylmethylamino)methanethiol
CID 59518007
(3S)-3-(2,3-dihydro-1-benzofuran-5-yl)morpholine
CID 96765724
3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)propanoic acid
CID 43804240
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)hexan-1-amine
CID 43804174
(3S)-3-(2,3-dihydro-1-benzofuran-5-yl)morpholine;hydrochloride
CID 171193100
4-(2,3-dihydro-1-benzofuran-5-ylmethylamino)butan-2-one
CID 115235717

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-morpholin-3-ylethanamine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-morpholin-3-ylethanamine (CID 115238964) is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-morpholin-3-ylethanamine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-morpholin-3-ylethanamine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-morpholin-3-ylethanamine is c1cc2c(cc1CNCCC1COCCN1)CCO2.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-morpholin-3-ylethanamine?
The InChIKey is DGVQDVLTAJVOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-15-13(4-7-19-15)9-12(1)10-16-5-3-14-11-18-8-6-17-14/h1-2,9,14,16-17H,3-8,10-11H2.
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-morpholin-3-ylethanamine?
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-morpholin-3-ylethanamine has a molecular weight of 262.35 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-morpholin-3-ylethanamine is sourced from PubChem (CID 115238964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).