[4-[(3,4-dimethoxyphenyl)methyl]morpholin-3-yl]methanamine

C14H22N2O3 — CID 83096554

IUPAC[4-[(3,4-dimethoxyphenyl)methyl]morpholin-3-yl]methanamine
SMILESCOc1ccc(CN2CCOCC2CN)cc1OC
InChIInChI=1S/C14H22N2O3/c1-17-13-4-3-11(7-14(13)18-2)9-16-5-6-19-10-12(16)8-15/h3-4,7,12H,5-6,8-10,15H2,1-2H3
InChIKeyYFOWFAGBCACHPH-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.86
Rot. Bonds5

About [4-[(3,4-dimethoxyphenyl)methyl]morpholin-3-yl]methanamine

[4-[(3,4-dimethoxyphenyl)methyl]morpholin-3-yl]methanamine (PubChem CID 83096554) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is [4-[(3,4-dimethoxyphenyl)methyl]morpholin-3-yl]methanamine.

Molecular Properties

Compound Name[4-[(3,4-dimethoxyphenyl)methyl]morpholin-3-yl]methanamine
PubChem CID83096554
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name[4-[(3,4-dimethoxyphenyl)methyl]morpholin-3-yl]methanamine
SMILESCOc1ccc(CN2CCOCC2CN)cc1OC
InChIInChI=1S/C14H22N2O3/c1-17-13-4-3-11(7-14(13)18-2)9-16-5-6-19-10-12(16)8-15/h3-4,7,12H,5-6,8-10,15H2,1-2H3
InChIKeyYFOWFAGBCACHPH-UHFFFAOYSA-N
XLogP0.86
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-4-[(3-chloro-4-methoxyphenyl)methyl]morpholin-3-yl]methanol
CID 99930605
[4-(2,3-dihydro-1H-inden-5-ylmethyl)morpholin-3-yl]methanamine
CID 83096056
5-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzenecarboximidamide
CID 65338703
[(3S)-4-[[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]methyl]morpholin-3-yl]methanol
CID 99936916
[4-[(3-chloro-4-fluorophenyl)methyl]morpholin-3-yl]methanamine
CID 103038281
[4-[(4-fluorophenyl)methyl]morpholin-3-yl]methanamine
CID 18933378
5-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzonitrile
CID 65344113
4-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzoic acid
CID 106793496
4-[[(2S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]methyl]morpholine
CID 97158896
[1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]pyrrolidin-2-yl]methanamine
CID 115312882
[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 40542884
[(3R)-4-[(4-methoxyphenyl)methyl]morpholin-3-yl]methanol
CID 163376784

Frequently Asked Questions

What is the IUPAC name of [4-[(3,4-dimethoxyphenyl)methyl]morpholin-3-yl]methanamine?
The IUPAC name of [4-[(3,4-dimethoxyphenyl)methyl]morpholin-3-yl]methanamine (CID 83096554) is [4-[(3,4-dimethoxyphenyl)methyl]morpholin-3-yl]methanamine.
What is the SMILES notation for [4-[(3,4-dimethoxyphenyl)methyl]morpholin-3-yl]methanamine?
The canonical SMILES for [4-[(3,4-dimethoxyphenyl)methyl]morpholin-3-yl]methanamine is COc1ccc(CN2CCOCC2CN)cc1OC.
What is the InChIKey of [4-[(3,4-dimethoxyphenyl)methyl]morpholin-3-yl]methanamine?
The InChIKey is YFOWFAGBCACHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-17-13-4-3-11(7-14(13)18-2)9-16-5-6-19-10-12(16)8-15/h3-4,7,12H,5-6,8-10,15H2,1-2H3.
What are the key properties of [4-[(3,4-dimethoxyphenyl)methyl]morpholin-3-yl]methanamine?
[4-[(3,4-dimethoxyphenyl)methyl]morpholin-3-yl]methanamine has a molecular weight of 266.34 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,4-dimethoxyphenyl)methyl]morpholin-3-yl]methanamine is sourced from PubChem (CID 83096554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).