5-chloro-N-(2-ethoxyethyl)-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline

C16H27ClN2O2 — CID 114851380

IUPAC5-chloro-N-(2-ethoxyethyl)-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline
SMILESCCOCCN(CC)c1cc(Cl)ccc1CNCCOC
InChIInChI=1S/C16H27ClN2O2/c1-4-19(9-11-21-5-2)16-12-15(17)7-6-14(16)13-18-8-10-20-3/h6-7,12,18H,4-5,8-11,13H2,1-3H3
InChIKeyJMOYEPXFICJPTO-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.94
Rot. Bonds11

About 5-chloro-N-(2-ethoxyethyl)-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline

5-chloro-N-(2-ethoxyethyl)-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline (PubChem CID 114851380) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 5-chloro-N-(2-ethoxyethyl)-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline.

Molecular Properties

Compound Name5-chloro-N-(2-ethoxyethyl)-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline
PubChem CID114851380
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC Name5-chloro-N-(2-ethoxyethyl)-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline
SMILESCCOCCN(CC)c1cc(Cl)ccc1CNCCOC
InChIInChI=1S/C16H27ClN2O2/c1-4-19(9-11-21-5-2)16-12-15(17)7-6-14(16)13-18-8-10-20-3/h6-7,12,18H,4-5,8-11,13H2,1-3H3
InChIKeyJMOYEPXFICJPTO-UHFFFAOYSA-N
XLogP2.94
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyethyl)-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline
CID 63690496
4-chloro-N-(2-ethoxyethyl)-2-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 114852817
N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]aniline
CID 63691377
2-[N-butyl-5-chloro-2-[(2-methoxyethylamino)methyl]anilino]ethanol
CID 114849250
5-chloro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-pentan-3-ylaniline
CID 114848415
5-chloro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 114853324
5-chloro-N-cyclopropyl-2-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 114847908
1-[5-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]propan-2-ol
CID 114850641
5-chloro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 114848617
5-chloro-2-[(2-methoxyethylamino)methyl]-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 114849967
5-chloro-2-(chloromethyl)-N,N-bis(2-methoxyethyl)aniline
CID 114846465
5-chloro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 114853300

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-ethoxyethyl)-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline?
The IUPAC name of 5-chloro-N-(2-ethoxyethyl)-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline (CID 114851380) is 5-chloro-N-(2-ethoxyethyl)-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline.
What is the SMILES notation for 5-chloro-N-(2-ethoxyethyl)-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline?
The canonical SMILES for 5-chloro-N-(2-ethoxyethyl)-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline is CCOCCN(CC)c1cc(Cl)ccc1CNCCOC.
What is the InChIKey of 5-chloro-N-(2-ethoxyethyl)-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline?
The InChIKey is JMOYEPXFICJPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2O2/c1-4-19(9-11-21-5-2)16-12-15(17)7-6-14(16)13-18-8-10-20-3/h6-7,12,18H,4-5,8-11,13H2,1-3H3.
What are the key properties of 5-chloro-N-(2-ethoxyethyl)-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline?
5-chloro-N-(2-ethoxyethyl)-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline has a molecular weight of 314.86 g/mol, XLogP of 2.94, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-ethoxyethyl)-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline is sourced from PubChem (CID 114851380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).