2,4-dimethoxy-6-methyl-N-(morpholin-3-ylmethyl)aniline

C14H22N2O3 — CID 115237892

IUPAC2,4-dimethoxy-6-methyl-N-(morpholin-3-ylmethyl)aniline
SMILESCOc1cc(C)c(NCC2COCCN2)c(OC)c1
InChIInChI=1S/C14H22N2O3/c1-10-6-12(17-2)7-13(18-3)14(10)16-8-11-9-19-5-4-15-11/h6-7,11,15-16H,4-5,8-9H2,1-3H3
InChIKeyNSFFKFLKKXNKGN-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.41
Rot. Bonds5

About 2,4-dimethoxy-6-methyl-N-(morpholin-3-ylmethyl)aniline

2,4-dimethoxy-6-methyl-N-(morpholin-3-ylmethyl)aniline (PubChem CID 115237892) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2,4-dimethoxy-6-methyl-N-(morpholin-3-ylmethyl)aniline.

Molecular Properties

Compound Name2,4-dimethoxy-6-methyl-N-(morpholin-3-ylmethyl)aniline
PubChem CID115237892
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2,4-dimethoxy-6-methyl-N-(morpholin-3-ylmethyl)aniline
SMILESCOc1cc(C)c(NCC2COCCN2)c(OC)c1
InChIInChI=1S/C14H22N2O3/c1-10-6-12(17-2)7-13(18-3)14(10)16-8-11-9-19-5-4-15-11/h6-7,11,15-16H,4-5,8-9H2,1-3H3
InChIKeyNSFFKFLKKXNKGN-UHFFFAOYSA-N
XLogP1.41
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-2,3,6-trimethyl-N-(morpholin-3-ylmethyl)aniline
CID 115237900
3-ethyl-4-methoxy-N-(morpholin-3-ylmethyl)aniline
CID 115237844
2-methoxy-N-[[(3S)-morpholin-3-yl]methyl]aniline
CID 99962582
2,5-difluoro-4-methoxy-N-(morpholin-3-ylmethyl)aniline
CID 115237891
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-morpholin-3-ylmethanamine
CID 115238057
3-[2-(4-methoxy-3-methylphenyl)ethyl]morpholine
CID 116928186
7-methyl-N-(morpholin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115237864
2-methoxy-N-(morpholin-3-ylmethyl)pyridin-4-amine
CID 103549304
(3R)-3-(2,4,6-trimethoxyphenyl)morpholine;hydrochloride
CID 171192526
1-(2-methoxy-4,5-dimethylphenyl)-2-morpholin-3-ylethanone
CID 116919891
3-[(5-chloro-2-methoxy-4-methylphenyl)methyl]morpholine
CID 116927929
N-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-morpholin-3-ylmethanamine
CID 115238028

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-6-methyl-N-(morpholin-3-ylmethyl)aniline?
The IUPAC name of 2,4-dimethoxy-6-methyl-N-(morpholin-3-ylmethyl)aniline (CID 115237892) is 2,4-dimethoxy-6-methyl-N-(morpholin-3-ylmethyl)aniline.
What is the SMILES notation for 2,4-dimethoxy-6-methyl-N-(morpholin-3-ylmethyl)aniline?
The canonical SMILES for 2,4-dimethoxy-6-methyl-N-(morpholin-3-ylmethyl)aniline is COc1cc(C)c(NCC2COCCN2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-6-methyl-N-(morpholin-3-ylmethyl)aniline?
The InChIKey is NSFFKFLKKXNKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10-6-12(17-2)7-13(18-3)14(10)16-8-11-9-19-5-4-15-11/h6-7,11,15-16H,4-5,8-9H2,1-3H3.
What are the key properties of 2,4-dimethoxy-6-methyl-N-(morpholin-3-ylmethyl)aniline?
2,4-dimethoxy-6-methyl-N-(morpholin-3-ylmethyl)aniline has a molecular weight of 266.34 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-6-methyl-N-(morpholin-3-ylmethyl)aniline is sourced from PubChem (CID 115237892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).