[3-[[1-(3-methoxyphenyl)ethylamino]methyl]morpholin-4-yl]-phenylmethanone

C21H26N2O3 — CID 72680064

IUPAC[3-[[1-(3-methoxyphenyl)ethylamino]methyl]morpholin-4-yl]-phenylmethanone
SMILESCOc1cccc(C(C)NCC2COCCN2C(=O)c2ccccc2)c1
InChIInChI=1S/C21H26N2O3/c1-16(18-9-6-10-20(13-18)25-2)22-14-19-15-26-12-11-23(19)21(24)17-7-4-3-5-8-17/h3-10,13,16,19,22H,11-12,14-15H2,1-2H3
InChIKeyDTEQRISNMQZNTB-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.89
Rot. Bonds6

About [3-[[1-(3-methoxyphenyl)ethylamino]methyl]morpholin-4-yl]-phenylmethanone

[3-[[1-(3-methoxyphenyl)ethylamino]methyl]morpholin-4-yl]-phenylmethanone (PubChem CID 72680064) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is [3-[[1-(3-methoxyphenyl)ethylamino]methyl]morpholin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-[[1-(3-methoxyphenyl)ethylamino]methyl]morpholin-4-yl]-phenylmethanone
PubChem CID72680064
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name[3-[[1-(3-methoxyphenyl)ethylamino]methyl]morpholin-4-yl]-phenylmethanone
SMILESCOc1cccc(C(C)NCC2COCCN2C(=O)c2ccccc2)c1
InChIInChI=1S/C21H26N2O3/c1-16(18-9-6-10-20(13-18)25-2)22-14-19-15-26-12-11-23(19)21(24)17-7-4-3-5-8-17/h3-10,13,16,19,22H,11-12,14-15H2,1-2H3
InChIKeyDTEQRISNMQZNTB-UHFFFAOYSA-N
XLogP2.89
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(4-fluorophenyl)morpholin-3-yl]methyl]-1-(3-methoxyphenyl)ethanamine
CID 72679887
(1R)-1-(3-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 81376792
(1S)-1-(3-methoxyphenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 81376149
N-(1,4-dioxan-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 54907826
1-(3-methoxyphenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 103729491
[(3R)-3-(hydroxymethyl)morpholin-4-yl]-phenylmethanone;hydrochloride
CID 118953500
N-[(4-benzoylmorpholin-3-yl)methyl]-2-methyl-4-[1-[(2,2,2-trifluoro-1-hydroxyethyl)amino]ethyl]benzamide
CID 130180052
[2-(2,2-diphenylethyl)-4-(3-methoxyphenyl)piperazin-1-yl]-phenylmethanone
CID 87612860
formic acid;[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(3-methoxyphenyl)methanone
CID 71785895
(1R)-1-(3-methoxyphenyl)-N-[(4-phenylmorpholin-2-yl)methyl]ethanamine;hydrochloride
CID 159891151
4-[[1-(3-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 106126753
[2-(2-hydroxypropyl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 79548686

Frequently Asked Questions

What is the IUPAC name of [3-[[1-(3-methoxyphenyl)ethylamino]methyl]morpholin-4-yl]-phenylmethanone?
The IUPAC name of [3-[[1-(3-methoxyphenyl)ethylamino]methyl]morpholin-4-yl]-phenylmethanone (CID 72680064) is [3-[[1-(3-methoxyphenyl)ethylamino]methyl]morpholin-4-yl]-phenylmethanone.
What is the SMILES notation for [3-[[1-(3-methoxyphenyl)ethylamino]methyl]morpholin-4-yl]-phenylmethanone?
The canonical SMILES for [3-[[1-(3-methoxyphenyl)ethylamino]methyl]morpholin-4-yl]-phenylmethanone is COc1cccc(C(C)NCC2COCCN2C(=O)c2ccccc2)c1.
What is the InChIKey of [3-[[1-(3-methoxyphenyl)ethylamino]methyl]morpholin-4-yl]-phenylmethanone?
The InChIKey is DTEQRISNMQZNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-16(18-9-6-10-20(13-18)25-2)22-14-19-15-26-12-11-23(19)21(24)17-7-4-3-5-8-17/h3-10,13,16,19,22H,11-12,14-15H2,1-2H3.
What are the key properties of [3-[[1-(3-methoxyphenyl)ethylamino]methyl]morpholin-4-yl]-phenylmethanone?
[3-[[1-(3-methoxyphenyl)ethylamino]methyl]morpholin-4-yl]-phenylmethanone has a molecular weight of 354.45 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[1-(3-methoxyphenyl)ethylamino]methyl]morpholin-4-yl]-phenylmethanone is sourced from PubChem (CID 72680064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).