2,6-dichloro-1-N-[(4-methylmorpholin-2-yl)methyl]benzene-1,4-diamine

C12H17Cl2N3O — CID 106890563

IUPAC2,6-dichloro-1-N-[(4-methylmorpholin-2-yl)methyl]benzene-1,4-diamine
SMILESCN1CCOC(CNc2c(Cl)cc(N)cc2Cl)C1
InChIInChI=1S/C12H17Cl2N3O/c1-17-2-3-18-9(7-17)6-16-12-10(13)4-8(15)5-11(12)14/h4-5,9,16H,2-3,6-7,15H2,1H3
InChIKeyFUGWRWWZCGQBMI-UHFFFAOYSA-N
MW290.19 g/mol
LogP2.32
Rot. Bonds3

About 2,6-dichloro-1-N-[(4-methylmorpholin-2-yl)methyl]benzene-1,4-diamine

2,6-dichloro-1-N-[(4-methylmorpholin-2-yl)methyl]benzene-1,4-diamine (PubChem CID 106890563) has the molecular formula C12H17Cl2N3O and a molecular weight of 290.19 g/mol. Its IUPAC name is 2,6-dichloro-1-N-[(4-methylmorpholin-2-yl)methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2,6-dichloro-1-N-[(4-methylmorpholin-2-yl)methyl]benzene-1,4-diamine
PubChem CID106890563
Molecular FormulaC12H17Cl2N3O
Molecular Weight290.19 g/mol
Exact Mass289.07
IUPAC Name2,6-dichloro-1-N-[(4-methylmorpholin-2-yl)methyl]benzene-1,4-diamine
SMILESCN1CCOC(CNc2c(Cl)cc(N)cc2Cl)C1
InChIInChI=1S/C12H17Cl2N3O/c1-17-2-3-18-9(7-17)6-16-12-10(13)4-8(15)5-11(12)14/h4-5,9,16H,2-3,6-7,15H2,1H3
InChIKeyFUGWRWWZCGQBMI-UHFFFAOYSA-N
XLogP2.32
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,4,6-trichloro-N-[(4-ethylmorpholin-2-yl)methyl]aniline
CID 79164415
5-chloro-2,4-dimethoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79172466
3-chloro-4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 83107478
1-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2,6-dichlorobenzene-1,4-diamine
CID 106890562
5-chloro-N-[(4-methylmorpholin-2-yl)methyl]-2,1,3-benzothiadiazol-4-amine
CID 79171402
2-chloro-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-4-nitroaniline
CID 94825699
3,5-difluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79171790
2-bromo-4,6-difluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79172288
4,6-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrimidin-2-amine
CID 78952498
2-amino-4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 79083271
2-chloro-6-[(4-methylmorpholin-2-yl)methylamino]benzenecarbothioamide
CID 79071213
5-chloro-6-[(4-methylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid
CID 79071332

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-1-N-[(4-methylmorpholin-2-yl)methyl]benzene-1,4-diamine?
The IUPAC name of 2,6-dichloro-1-N-[(4-methylmorpholin-2-yl)methyl]benzene-1,4-diamine (CID 106890563) is 2,6-dichloro-1-N-[(4-methylmorpholin-2-yl)methyl]benzene-1,4-diamine.
What is the SMILES notation for 2,6-dichloro-1-N-[(4-methylmorpholin-2-yl)methyl]benzene-1,4-diamine?
The canonical SMILES for 2,6-dichloro-1-N-[(4-methylmorpholin-2-yl)methyl]benzene-1,4-diamine is CN1CCOC(CNc2c(Cl)cc(N)cc2Cl)C1.
What is the InChIKey of 2,6-dichloro-1-N-[(4-methylmorpholin-2-yl)methyl]benzene-1,4-diamine?
The InChIKey is FUGWRWWZCGQBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N3O/c1-17-2-3-18-9(7-17)6-16-12-10(13)4-8(15)5-11(12)14/h4-5,9,16H,2-3,6-7,15H2,1H3.
What are the key properties of 2,6-dichloro-1-N-[(4-methylmorpholin-2-yl)methyl]benzene-1,4-diamine?
2,6-dichloro-1-N-[(4-methylmorpholin-2-yl)methyl]benzene-1,4-diamine has a molecular weight of 290.19 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-1-N-[(4-methylmorpholin-2-yl)methyl]benzene-1,4-diamine is sourced from PubChem (CID 106890563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).