2-(2-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-morpholin-4-ylethanamine

C21H25ClN2O2 — CID 78903826

IUPAC2-(2-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-morpholin-4-ylethanamine
SMILESClc1ccccc1C(CNCc1ccc2c(c1)CCO2)N1CCOCC1
InChIInChI=1S/C21H25ClN2O2/c22-19-4-2-1-3-18(19)20(24-8-11-25-12-9-24)15-23-14-16-5-6-21-17(13-16)7-10-26-21/h1-6,13,20,23H,7-12,14-15H2
InChIKeyHHWRLPQUPSOUTO-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.44
Rot. Bonds6

About 2-(2-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-morpholin-4-ylethanamine

2-(2-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-morpholin-4-ylethanamine (PubChem CID 78903826) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-morpholin-4-ylethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-morpholin-4-ylethanamine
PubChem CID78903826
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name2-(2-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-morpholin-4-ylethanamine
SMILESClc1ccccc1C(CNCc1ccc2c(c1)CCO2)N1CCOCC1
InChIInChI=1S/C21H25ClN2O2/c22-19-4-2-1-3-18(19)20(24-8-11-25-12-9-24)15-23-14-16-5-6-21-17(13-16)7-10-26-21/h1-6,13,20,23H,7-12,14-15H2
InChIKeyHHWRLPQUPSOUTO-UHFFFAOYSA-N
XLogP3.44
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]benzoic acid
CID 122030156
1-(2-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)ethanamine
CID 43804139
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylpropan-1-amine
CID 83380866
2-[4-[[[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]acetamide
CID 34536248
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 43804204
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-morpholin-4-ylethanamine
CID 43804102
2-(2-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 119109898
(2S)-2-(2-chlorophenyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-morpholin-4-ylethanamine
CID 124699195
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904175
(1S)-1-(2-chlorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethanamine
CID 81375305
2,3-dichloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)aniline
CID 43804211
5-[(2-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 141276691

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-morpholin-4-ylethanamine?
The IUPAC name of 2-(2-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-morpholin-4-ylethanamine (CID 78903826) is 2-(2-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-morpholin-4-ylethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-morpholin-4-ylethanamine?
The canonical SMILES for 2-(2-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-morpholin-4-ylethanamine is Clc1ccccc1C(CNCc1ccc2c(c1)CCO2)N1CCOCC1.
What is the InChIKey of 2-(2-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-morpholin-4-ylethanamine?
The InChIKey is HHWRLPQUPSOUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c22-19-4-2-1-3-18(19)20(24-8-11-25-12-9-24)15-23-14-16-5-6-21-17(13-16)7-10-26-21/h1-6,13,20,23H,7-12,14-15H2.
What are the key properties of 2-(2-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-morpholin-4-ylethanamine?
2-(2-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-morpholin-4-ylethanamine has a molecular weight of 372.90 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-morpholin-4-ylethanamine is sourced from PubChem (CID 78903826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).