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

C15H19ClN2O2 — CID 82705234

IUPACN-[(2-chloro-1-benzofuran-3-yl)methyl]-2-morpholin-4-ylethanamine
SMILESClc1oc2ccccc2c1CNCCN1CCOCC1
InChIInChI=1S/C15H19ClN2O2/c16-15-13(12-3-1-2-4-14(12)20-15)11-17-5-6-18-7-9-19-10-8-18/h1-4,17H,5-11H2
InChIKeyPEYSFLWJEJGHNJ-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.51
Rot. Bonds5

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

N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-morpholin-4-ylethanamine (PubChem CID 82705234) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[(2-chloro-1-benzofuran-3-yl)methyl]-2-morpholin-4-ylethanamine
PubChem CID82705234
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC NameN-[(2-chloro-1-benzofuran-3-yl)methyl]-2-morpholin-4-ylethanamine
SMILESClc1oc2ccccc2c1CNCCN1CCOCC1
InChIInChI=1S/C15H19ClN2O2/c16-15-13(12-3-1-2-4-14(12)20-15)11-17-5-6-18-7-9-19-10-8-18/h1-4,17H,5-11H2
InChIKeyPEYSFLWJEJGHNJ-UHFFFAOYSA-N
XLogP2.51
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.51
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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Related Compounds

N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 82764642
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-cyclopropylethanamine
CID 82705158
3-[(2-chloro-1-benzofuran-3-yl)methylamino]propan-1-ol
CID 82705604
(E)-N-[(2-chloro-1-benzofuran-3-yl)methyl]pent-3-en-1-amine
CID 115777550
4-[2-[(2-chloro-1-benzofuran-3-yl)methylamino]ethyl]phenol
CID 82711814
N-[(2-chloro-6-fluorophenyl)methyl]-2-morpholin-4-ylethanamine
CID 4720319
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-cyclopentylethanamine
CID 82759724
N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-morpholin-4-ylethanamine
CID 124895932
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 82759810
2-[2-[(2-chloro-1-benzofuran-3-yl)methylamino]ethoxy]ethanol
CID 82705701
N-[(2-chloro-1-benzofuran-3-yl)methyl]-N',N'-dimethylbutane-1,4-diamine
CID 82704885
N-[(2-chloro-1-benzofuran-3-yl)methyl]-N',N'-diethylpropane-1,3-diamine
CID 82758766

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-morpholin-4-ylethanamine?
The IUPAC name of N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-morpholin-4-ylethanamine (CID 82705234) is N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-morpholin-4-ylethanamine is Clc1oc2ccccc2c1CNCCN1CCOCC1.
What is the InChIKey of N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-morpholin-4-ylethanamine?
The InChIKey is PEYSFLWJEJGHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c16-15-13(12-3-1-2-4-14(12)20-15)11-17-5-6-18-7-9-19-10-8-18/h1-4,17H,5-11H2.
What are the key properties of N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-morpholin-4-ylethanamine?
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-morpholin-4-ylethanamine has a molecular weight of 294.78 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 82705234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).