N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-morpholin-4-ylethanamine

C15H21ClN2O2 — CID 66394124

IUPACN-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-morpholin-4-ylethanamine
SMILESClc1ccc2c(c1)CC(CNCCN1CCOCC1)O2
InChIInChI=1S/C15H21ClN2O2/c16-13-1-2-15-12(9-13)10-14(20-15)11-17-3-4-18-5-7-19-8-6-18/h1-2,9,14,17H,3-8,10-11H2
InChIKeyULYMKRSABJYUCB-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.57
Rot. Bonds5

About N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-morpholin-4-ylethanamine

N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-morpholin-4-ylethanamine (PubChem CID 66394124) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-morpholin-4-ylethanamine
PubChem CID66394124
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC NameN-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-morpholin-4-ylethanamine
SMILESClc1ccc2c(c1)CC(CNCCN1CCOCC1)O2
InChIInChI=1S/C15H21ClN2O2/c16-13-1-2-15-12(9-13)10-14(20-15)11-17-3-4-18-5-7-19-8-6-18/h1-2,9,14,17H,3-8,10-11H2
InChIKeyULYMKRSABJYUCB-UHFFFAOYSA-N
XLogP1.57
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.57
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-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-morpholin-4-ylethanamine?
The IUPAC name of N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-morpholin-4-ylethanamine (CID 66394124) is N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-morpholin-4-ylethanamine is Clc1ccc2c(c1)CC(CNCCN1CCOCC1)O2.
What is the InChIKey of N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-morpholin-4-ylethanamine?
The InChIKey is ULYMKRSABJYUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c16-13-1-2-15-12(9-13)10-14(20-15)11-17-3-4-18-5-7-19-8-6-18/h1-2,9,14,17H,3-8,10-11H2.
What are the key properties of N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-morpholin-4-ylethanamine?
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-morpholin-4-ylethanamine has a molecular weight of 296.80 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 66394124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).