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

C13H21ClN2O — CID 63697878

IUPAC2-chloro-5-[[2-ethoxyethyl(ethyl)amino]methyl]aniline
SMILESCCOCCN(CC)Cc1ccc(Cl)c(N)c1
InChIInChI=1S/C13H21ClN2O/c1-3-16(7-8-17-4-2)10-11-5-6-12(14)13(15)9-11/h5-6,9H,3-4,7-8,10,15H2,1-2H3
InChIKeyUPWYTEFPGNUMBK-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.78
Rot. Bonds7

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

2-chloro-5-[[2-ethoxyethyl(ethyl)amino]methyl]aniline (PubChem CID 63697878) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 2-chloro-5-[[2-ethoxyethyl(ethyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-chloro-5-[[2-ethoxyethyl(ethyl)amino]methyl]aniline
PubChem CID63697878
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name2-chloro-5-[[2-ethoxyethyl(ethyl)amino]methyl]aniline
SMILESCCOCCN(CC)Cc1ccc(Cl)c(N)c1
InChIInChI=1S/C13H21ClN2O/c1-3-16(7-8-17-4-2)10-11-5-6-12(14)13(15)9-11/h5-6,9H,3-4,7-8,10,15H2,1-2H3
InChIKeyUPWYTEFPGNUMBK-UHFFFAOYSA-N
XLogP2.78
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[bis(2-ethoxyethyl)amino]methyl]-2-fluoroaniline
CID 82965656
2-chloro-5-[[cyclopropylmethyl(ethyl)amino]methyl]aniline
CID 63956947
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-ethoxy-N-ethylethanamine
CID 103998308
3-[[bis(2-ethoxyethyl)amino]methyl]aniline
CID 82965943
N'-[(3,4-dichlorophenyl)methyl]-N,N,N'-triethylethane-1,2-diamine
CID 2058180
N-[[4-[[2-ethoxyethyl(ethyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 63690912
2-chloro-5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 55006318
5-[[2-ethoxyethyl(ethyl)amino]methyl]-2-methoxybenzenecarbothioamide
CID 65343894
[5-[[2-ethoxyethyl(ethyl)amino]methyl]-2-methoxyphenyl]boronic acid
CID 63692817
2-ethoxy-N-ethyl-N-[(2-hydrazinyl-4-pyridinyl)methyl]ethanamine
CID 63690883
2-chloro-5-[[ethyl(propan-2-yl)amino]methyl]aniline
CID 43265322
2-ethoxy-N-ethyl-N-[(4-hydrazinyl-3-nitrophenyl)methyl]ethanamine
CID 63690351

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[2-ethoxyethyl(ethyl)amino]methyl]aniline?
The IUPAC name of 2-chloro-5-[[2-ethoxyethyl(ethyl)amino]methyl]aniline (CID 63697878) is 2-chloro-5-[[2-ethoxyethyl(ethyl)amino]methyl]aniline.
What is the SMILES notation for 2-chloro-5-[[2-ethoxyethyl(ethyl)amino]methyl]aniline?
The canonical SMILES for 2-chloro-5-[[2-ethoxyethyl(ethyl)amino]methyl]aniline is CCOCCN(CC)Cc1ccc(Cl)c(N)c1.
What is the InChIKey of 2-chloro-5-[[2-ethoxyethyl(ethyl)amino]methyl]aniline?
The InChIKey is UPWYTEFPGNUMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-3-16(7-8-17-4-2)10-11-5-6-12(14)13(15)9-11/h5-6,9H,3-4,7-8,10,15H2,1-2H3.
What are the key properties of 2-chloro-5-[[2-ethoxyethyl(ethyl)amino]methyl]aniline?
2-chloro-5-[[2-ethoxyethyl(ethyl)amino]methyl]aniline has a molecular weight of 256.78 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[2-ethoxyethyl(ethyl)amino]methyl]aniline is sourced from PubChem (CID 63697878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).