(2S)-4-[(5-chloro-1H-indol-3-yl)methyl]-2-(phenoxymethyl)morpholine

C20H21ClN2O2 — CID 127031830

IUPAC(2S)-4-[(5-chloro-1H-indol-3-yl)methyl]-2-(phenoxymethyl)morpholine
SMILESClc1ccc2[nH]cc(CN3CCO[C@H](COc4ccccc4)C3)c2c1
InChIInChI=1S/C20H21ClN2O2/c21-16-6-7-20-19(10-16)15(11-22-20)12-23-8-9-24-18(13-23)14-25-17-4-2-1-3-5-17/h1-7,10-11,18,22H,8-9,12-14H2/t18-/m0/s1
InChIKeyJTZFLQPOHMQBDK-SFHVURJKSA-N
MW356.85 g/mol
LogP4.10
Rot. Bonds5

About (2S)-4-[(5-chloro-1H-indol-3-yl)methyl]-2-(phenoxymethyl)morpholine

(2S)-4-[(5-chloro-1H-indol-3-yl)methyl]-2-(phenoxymethyl)morpholine (PubChem CID 127031830) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is (2S)-4-[(5-chloro-1H-indol-3-yl)methyl]-2-(phenoxymethyl)morpholine.

Molecular Properties

Compound Name(2S)-4-[(5-chloro-1H-indol-3-yl)methyl]-2-(phenoxymethyl)morpholine
PubChem CID127031830
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name(2S)-4-[(5-chloro-1H-indol-3-yl)methyl]-2-(phenoxymethyl)morpholine
SMILESClc1ccc2[nH]cc(CN3CCO[C@H](COc4ccccc4)C3)c2c1
InChIInChI=1S/C20H21ClN2O2/c21-16-6-7-20-19(10-16)15(11-22-20)12-23-8-9-24-18(13-23)14-25-17-4-2-1-3-5-17/h1-7,10-11,18,22H,8-9,12-14H2/t18-/m0/s1
InChIKeyJTZFLQPOHMQBDK-SFHVURJKSA-N
XLogP4.10
TPSA37.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(5-chloro-1H-indol-3-yl)methyl]-2-(phenoxymethyl)morpholine?
The IUPAC name of (2S)-4-[(5-chloro-1H-indol-3-yl)methyl]-2-(phenoxymethyl)morpholine (CID 127031830) is (2S)-4-[(5-chloro-1H-indol-3-yl)methyl]-2-(phenoxymethyl)morpholine.
What is the SMILES notation for (2S)-4-[(5-chloro-1H-indol-3-yl)methyl]-2-(phenoxymethyl)morpholine?
The canonical SMILES for (2S)-4-[(5-chloro-1H-indol-3-yl)methyl]-2-(phenoxymethyl)morpholine is Clc1ccc2[nH]cc(CN3CCO[C@H](COc4ccccc4)C3)c2c1.
What is the InChIKey of (2S)-4-[(5-chloro-1H-indol-3-yl)methyl]-2-(phenoxymethyl)morpholine?
The InChIKey is JTZFLQPOHMQBDK-SFHVURJKSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c21-16-6-7-20-19(10-16)15(11-22-20)12-23-8-9-24-18(13-23)14-25-17-4-2-1-3-5-17/h1-7,10-11,18,22H,8-9,12-14H2/t18-/m0/s1.
What are the key properties of (2S)-4-[(5-chloro-1H-indol-3-yl)methyl]-2-(phenoxymethyl)morpholine?
(2S)-4-[(5-chloro-1H-indol-3-yl)methyl]-2-(phenoxymethyl)morpholine has a molecular weight of 356.85 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(5-chloro-1H-indol-3-yl)methyl]-2-(phenoxymethyl)morpholine is sourced from PubChem (CID 127031830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).