5-chloro-2,4-dimethoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline

C14H21ClN2O3 — CID 79172466

IUPAC5-chloro-2,4-dimethoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline
SMILESCOc1cc(OC)c(NCC2CN(C)CCO2)cc1Cl
InChIInChI=1S/C14H21ClN2O3/c1-17-4-5-20-10(9-17)8-16-12-6-11(15)13(18-2)7-14(12)19-3/h6-7,10,16H,4-5,8-9H2,1-3H3
InChIKeyTYYQJLNBKRIRBG-UHFFFAOYSA-N
MW300.79 g/mol
LogP2.10
Rot. Bonds5

About 5-chloro-2,4-dimethoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline

5-chloro-2,4-dimethoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline (PubChem CID 79172466) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is 5-chloro-2,4-dimethoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline.

Molecular Properties

Compound Name5-chloro-2,4-dimethoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline
PubChem CID79172466
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC Name5-chloro-2,4-dimethoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline
SMILESCOc1cc(OC)c(NCC2CN(C)CCO2)cc1Cl
InChIInChI=1S/C14H21ClN2O3/c1-17-4-5-20-10(9-17)8-16-12-6-11(15)13(18-2)7-14(12)19-3/h6-7,10,16H,4-5,8-9H2,1-3H3
InChIKeyTYYQJLNBKRIRBG-UHFFFAOYSA-N
XLogP2.10
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 52.10
H-Bond Donors ≤ 51
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-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2,5-dimethoxyaniline
CID 79164835
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 79032915
3-fluoro-4-methoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79172561
2-chloro-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-4-nitroaniline
CID 94825699
2,6-dichloro-1-N-[(4-methylmorpholin-2-yl)methyl]benzene-1,4-diamine
CID 106890563
4-fluoro-5-methoxy-N-[(4-methylmorpholin-2-yl)methyl]-2-nitroaniline
CID 133360531
3-chloro-4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 83107478
2-ethoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79172087
2-chloro-6-[(4-methylmorpholin-2-yl)methylamino]benzoic acid
CID 79072368
2-chloro-6-[(4-methylmorpholin-2-yl)methylamino]benzenecarbothioamide
CID 79071213
2-(difluoromethoxy)-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79172188
3,5-difluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79171790

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,4-dimethoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline?
The IUPAC name of 5-chloro-2,4-dimethoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline (CID 79172466) is 5-chloro-2,4-dimethoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline.
What is the SMILES notation for 5-chloro-2,4-dimethoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline?
The canonical SMILES for 5-chloro-2,4-dimethoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline is COc1cc(OC)c(NCC2CN(C)CCO2)cc1Cl.
What is the InChIKey of 5-chloro-2,4-dimethoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline?
The InChIKey is TYYQJLNBKRIRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3/c1-17-4-5-20-10(9-17)8-16-12-6-11(15)13(18-2)7-14(12)19-3/h6-7,10,16H,4-5,8-9H2,1-3H3.
What are the key properties of 5-chloro-2,4-dimethoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline?
5-chloro-2,4-dimethoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline has a molecular weight of 300.79 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,4-dimethoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline is sourced from PubChem (CID 79172466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).