4-chloro-2-[(2-ethylmorpholin-4-yl)methyl]aniline

C13H19ClN2O — CID 79582785

IUPAC4-chloro-2-[(2-ethylmorpholin-4-yl)methyl]aniline
SMILESCCC1CN(Cc2cc(Cl)ccc2N)CCO1
InChIInChI=1S/C13H19ClN2O/c1-2-12-9-16(5-6-17-12)8-10-7-11(14)3-4-13(10)15/h3-4,7,12H,2,5-6,8-9,15H2,1H3
InChIKeyOHGPUOQFECDWGQ-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.53
Rot. Bonds3

About 4-chloro-2-[(2-ethylmorpholin-4-yl)methyl]aniline

4-chloro-2-[(2-ethylmorpholin-4-yl)methyl]aniline (PubChem CID 79582785) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 4-chloro-2-[(2-ethylmorpholin-4-yl)methyl]aniline.

Molecular Properties

Compound Name4-chloro-2-[(2-ethylmorpholin-4-yl)methyl]aniline
PubChem CID79582785
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name4-chloro-2-[(2-ethylmorpholin-4-yl)methyl]aniline
SMILESCCC1CN(Cc2cc(Cl)ccc2N)CCO1
InChIInChI=1S/C13H19ClN2O/c1-2-12-9-16(5-6-17-12)8-10-7-11(14)3-4-13(10)15/h3-4,7,12H,2,5-6,8-9,15H2,1H3
InChIKeyOHGPUOQFECDWGQ-UHFFFAOYSA-N
XLogP2.53
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-ethylmorpholin-4-yl)methyl]-4-methoxyaniline
CID 115413796
[3-[(2-ethylmorpholin-4-yl)methyl]-4-fluorophenyl]methanamine
CID 43562377
4-[(4-bromo-2-chlorophenyl)methyl]-2-ethylmorpholine
CID 115598233
[(2S)-4-[(5-chloro-2-ethoxyphenyl)methyl]morpholin-2-yl]methanamine;hydrochloride
CID 171625171
[4-[(2,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 114393379
3-[(2-ethylmorpholin-4-yl)methyl]-4-fluorobenzenecarbothioamide
CID 43562689
4-chloro-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]aniline
CID 79582573
[4-[(4-chloro-2-methylphenyl)methyl]morpholin-2-yl]methanol
CID 91648632
4-chloro-2-[(2,6-dimethylmorpholin-4-yl)methyl]aniline
CID 79582306
2-amino-4-[(2-ethylmorpholin-4-yl)methyl]phenol
CID 43562236
[4-[(4-chloro-2-fluorophenyl)methyl]morpholin-2-yl]methanamine;hydrochloride
CID 120844387
2-[(2-ethylmorpholin-4-yl)methyl]-3-fluoroaniline
CID 63330879

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2-ethylmorpholin-4-yl)methyl]aniline?
The IUPAC name of 4-chloro-2-[(2-ethylmorpholin-4-yl)methyl]aniline (CID 79582785) is 4-chloro-2-[(2-ethylmorpholin-4-yl)methyl]aniline.
What is the SMILES notation for 4-chloro-2-[(2-ethylmorpholin-4-yl)methyl]aniline?
The canonical SMILES for 4-chloro-2-[(2-ethylmorpholin-4-yl)methyl]aniline is CCC1CN(Cc2cc(Cl)ccc2N)CCO1.
What is the InChIKey of 4-chloro-2-[(2-ethylmorpholin-4-yl)methyl]aniline?
The InChIKey is OHGPUOQFECDWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-2-12-9-16(5-6-17-12)8-10-7-11(14)3-4-13(10)15/h3-4,7,12H,2,5-6,8-9,15H2,1H3.
What are the key properties of 4-chloro-2-[(2-ethylmorpholin-4-yl)methyl]aniline?
4-chloro-2-[(2-ethylmorpholin-4-yl)methyl]aniline has a molecular weight of 254.76 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2-ethylmorpholin-4-yl)methyl]aniline is sourced from PubChem (CID 79582785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).