2-(2-aminoethyl)-3-chloro-N,N-bis(2-ethoxyethyl)aniline

C16H27ClN2O2 — CID 82943922

IUPAC2-(2-aminoethyl)-3-chloro-N,N-bis(2-ethoxyethyl)aniline
SMILESCCOCCN(CCOCC)c1cccc(Cl)c1CCN
InChIInChI=1S/C16H27ClN2O2/c1-3-20-12-10-19(11-13-21-4-2)16-7-5-6-15(17)14(16)8-9-18/h5-7H,3-4,8-13,18H2,1-2H3
InChIKeyZKUWSMUEZVAOEI-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.72
Rot. Bonds11

About 2-(2-aminoethyl)-3-chloro-N,N-bis(2-ethoxyethyl)aniline

2-(2-aminoethyl)-3-chloro-N,N-bis(2-ethoxyethyl)aniline (PubChem CID 82943922) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 2-(2-aminoethyl)-3-chloro-N,N-bis(2-ethoxyethyl)aniline.

Molecular Properties

Compound Name2-(2-aminoethyl)-3-chloro-N,N-bis(2-ethoxyethyl)aniline
PubChem CID82943922
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC Name2-(2-aminoethyl)-3-chloro-N,N-bis(2-ethoxyethyl)aniline
SMILESCCOCCN(CCOCC)c1cccc(Cl)c1CCN
InChIInChI=1S/C16H27ClN2O2/c1-3-20-12-10-19(11-13-21-4-2)16-7-5-6-15(17)14(16)8-9-18/h5-7H,3-4,8-13,18H2,1-2H3
InChIKeyZKUWSMUEZVAOEI-UHFFFAOYSA-N
XLogP2.72
TPSA47.72 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 ≤ 52.72
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

2-(2-aminoethyl)-3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 63786522
3-chloro-N-(2-ethoxyethyl)-N-ethyl-2-nitroaniline
CID 113459306
2-(2-aminoethyl)-3-chloro-N-methyl-N-(2-methylbutan-2-yl)aniline
CID 63959947
2-(2-aminoethyl)-3-chloro-N-cyclopropyl-N-(2-methoxyethyl)aniline
CID 63786686
3-chloro-2-[[2-ethoxyethyl(methyl)amino]methyl]aniline
CID 81053515
3-chloro-2-(chloromethyl)-N,N-dipropylaniline
CID 28946264
2-[bis(2-ethoxyethyl)amino]-6-fluorobenzenecarbothioamide
CID 82960777
3-chloro-N,N-bis(2-methoxyethyl)-2-(methylaminomethyl)aniline
CID 61418447
2-(2-aminoethyl)-3-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline
CID 63783609
N-(2-ethoxyethyl)-N-ethyl-3-fluoro-2-(methylaminomethyl)aniline
CID 114065673
2-(2-chloro-6-methylphenyl)ethanamine
CID 84731855
2-[bis(2-ethoxyethyl)amino]-4-chlorobenzenecarboximidamide
CID 82939011

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-3-chloro-N,N-bis(2-ethoxyethyl)aniline?
The IUPAC name of 2-(2-aminoethyl)-3-chloro-N,N-bis(2-ethoxyethyl)aniline (CID 82943922) is 2-(2-aminoethyl)-3-chloro-N,N-bis(2-ethoxyethyl)aniline.
What is the SMILES notation for 2-(2-aminoethyl)-3-chloro-N,N-bis(2-ethoxyethyl)aniline?
The canonical SMILES for 2-(2-aminoethyl)-3-chloro-N,N-bis(2-ethoxyethyl)aniline is CCOCCN(CCOCC)c1cccc(Cl)c1CCN.
What is the InChIKey of 2-(2-aminoethyl)-3-chloro-N,N-bis(2-ethoxyethyl)aniline?
The InChIKey is ZKUWSMUEZVAOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2O2/c1-3-20-12-10-19(11-13-21-4-2)16-7-5-6-15(17)14(16)8-9-18/h5-7H,3-4,8-13,18H2,1-2H3.
What are the key properties of 2-(2-aminoethyl)-3-chloro-N,N-bis(2-ethoxyethyl)aniline?
2-(2-aminoethyl)-3-chloro-N,N-bis(2-ethoxyethyl)aniline has a molecular weight of 314.86 g/mol, XLogP of 2.72, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-3-chloro-N,N-bis(2-ethoxyethyl)aniline is sourced from PubChem (CID 82943922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).