3,5-dichloro-4-(2-ethylmorpholin-4-yl)aniline

C12H16Cl2N2O — CID 106889970

IUPAC3,5-dichloro-4-(2-ethylmorpholin-4-yl)aniline
SMILESCCC1CN(c2c(Cl)cc(N)cc2Cl)CCO1
InChIInChI=1S/C12H16Cl2N2O/c1-2-9-7-16(3-4-17-9)12-10(13)5-8(15)6-11(12)14/h5-6,9H,2-4,7,15H2,1H3
InChIKeyLGDUWPICMLAAIF-UHFFFAOYSA-N
MW275.18 g/mol
LogP3.19
Rot. Bonds2

About 3,5-dichloro-4-(2-ethylmorpholin-4-yl)aniline

3,5-dichloro-4-(2-ethylmorpholin-4-yl)aniline (PubChem CID 106889970) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is 3,5-dichloro-4-(2-ethylmorpholin-4-yl)aniline.

Molecular Properties

Compound Name3,5-dichloro-4-(2-ethylmorpholin-4-yl)aniline
PubChem CID106889970
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name3,5-dichloro-4-(2-ethylmorpholin-4-yl)aniline
SMILESCCC1CN(c2c(Cl)cc(N)cc2Cl)CCO1
InChIInChI=1S/C12H16Cl2N2O/c1-2-9-7-16(3-4-17-9)12-10(13)5-8(15)6-11(12)14/h5-6,9H,2-4,7,15H2,1H3
InChIKeyLGDUWPICMLAAIF-UHFFFAOYSA-N
XLogP3.19
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 5-amino-3-chloro-2-(2-ethylmorpholin-4-yl)benzoate
CID 107194128
3,5-dichloro-4-(3-ethyl-4-methylpiperazin-1-yl)aniline
CID 106890416
2-(2-ethylmorpholin-4-yl)pyrimidin-5-amine
CID 61147387
(1R)-1-[3-chloro-4-(2-ethylmorpholin-4-yl)phenyl]ethanamine
CID 63369544
2-(2-ethylmorpholin-4-yl)aniline
CID 43562435
3-(2-ethylmorpholin-4-yl)-5-nitroaniline
CID 80788603
5-chloro-6-(2-ethylmorpholin-4-yl)pyrimidin-4-amine
CID 106811779
3,5-dichloro-4-(4-ethyl-3-methylpiperazin-1-yl)aniline
CID 106890415
4-(2-ethylmorpholin-4-yl)-6-methylpyrimidin-2-amine
CID 112726117
4-(6-chloro-2-methylpyrimidin-4-yl)-2-ethylmorpholine
CID 62482337
2-(2-ethylmorpholin-4-yl)-4-fluoroaniline
CID 62377461
(5-amino-2-chlorophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 43562207

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-(2-ethylmorpholin-4-yl)aniline?
The IUPAC name of 3,5-dichloro-4-(2-ethylmorpholin-4-yl)aniline (CID 106889970) is 3,5-dichloro-4-(2-ethylmorpholin-4-yl)aniline.
What is the SMILES notation for 3,5-dichloro-4-(2-ethylmorpholin-4-yl)aniline?
The canonical SMILES for 3,5-dichloro-4-(2-ethylmorpholin-4-yl)aniline is CCC1CN(c2c(Cl)cc(N)cc2Cl)CCO1.
What is the InChIKey of 3,5-dichloro-4-(2-ethylmorpholin-4-yl)aniline?
The InChIKey is LGDUWPICMLAAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c1-2-9-7-16(3-4-17-9)12-10(13)5-8(15)6-11(12)14/h5-6,9H,2-4,7,15H2,1H3.
What are the key properties of 3,5-dichloro-4-(2-ethylmorpholin-4-yl)aniline?
3,5-dichloro-4-(2-ethylmorpholin-4-yl)aniline has a molecular weight of 275.18 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-(2-ethylmorpholin-4-yl)aniline is sourced from PubChem (CID 106889970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).