3-chloro-N,N-bis(2-methoxyethyl)-2-(methylaminomethyl)aniline

C14H23ClN2O2 — CID 61418447

IUPAC3-chloro-N,N-bis(2-methoxyethyl)-2-(methylaminomethyl)aniline
SMILESCNCc1c(Cl)cccc1N(CCOC)CCOC
InChIInChI=1S/C14H23ClN2O2/c1-16-11-12-13(15)5-4-6-14(12)17(7-9-18-2)8-10-19-3/h4-6,16H,7-11H2,1-3H3
InChIKeyWDKZLBQTWFVYTF-UHFFFAOYSA-N
MW286.80 g/mol
LogP2.16
Rot. Bonds9

About 3-chloro-N,N-bis(2-methoxyethyl)-2-(methylaminomethyl)aniline

3-chloro-N,N-bis(2-methoxyethyl)-2-(methylaminomethyl)aniline (PubChem CID 61418447) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is 3-chloro-N,N-bis(2-methoxyethyl)-2-(methylaminomethyl)aniline.

Molecular Properties

Compound Name3-chloro-N,N-bis(2-methoxyethyl)-2-(methylaminomethyl)aniline
PubChem CID61418447
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name3-chloro-N,N-bis(2-methoxyethyl)-2-(methylaminomethyl)aniline
SMILESCNCc1c(Cl)cccc1N(CCOC)CCOC
InChIInChI=1S/C14H23ClN2O2/c1-16-11-12-13(15)5-4-6-14(12)17(7-9-18-2)8-10-19-3/h4-6,16H,7-11H2,1-3H3
InChIKeyWDKZLBQTWFVYTF-UHFFFAOYSA-N
XLogP2.16
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-chloro-2-(hydroxymethyl)-N-(2-methoxyethyl)anilino]propanenitrile
CID 55173059
2-(2-aminoethyl)-3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 63786522
1-(2,6-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839804
N-butyl-3-chloro-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline
CID 63058912
[2-chloro-6-[2-methoxyethyl(prop-2-enyl)amino]phenyl]methanol
CID 103339584
methyl 3-[3-chloro-2-cyano-N-(2-methoxyethyl)anilino]propanoate
CID 115534536
2-(2-aminopropyl)-3-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline
CID 63817543
2-chloro-N-ethyl-N-(2-methoxyethyl)aniline
CID 139729852
3-chloro-N-methyl-2-(methylaminomethyl)-N-pentan-3-ylaniline
CID 43571403
2-[bis(2-methoxyethyl)amino]-6-chlorobenzenecarbothioamide
CID 62496660
3-chloro-N-(cyclobutylmethyl)-N-ethyl-2-(methylaminomethyl)aniline
CID 107399886
3-chloro-N-methyl-2-(methylaminomethyl)-N-(2-phenylethyl)aniline
CID 65488208

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,N-bis(2-methoxyethyl)-2-(methylaminomethyl)aniline?
The IUPAC name of 3-chloro-N,N-bis(2-methoxyethyl)-2-(methylaminomethyl)aniline (CID 61418447) is 3-chloro-N,N-bis(2-methoxyethyl)-2-(methylaminomethyl)aniline.
What is the SMILES notation for 3-chloro-N,N-bis(2-methoxyethyl)-2-(methylaminomethyl)aniline?
The canonical SMILES for 3-chloro-N,N-bis(2-methoxyethyl)-2-(methylaminomethyl)aniline is CNCc1c(Cl)cccc1N(CCOC)CCOC.
What is the InChIKey of 3-chloro-N,N-bis(2-methoxyethyl)-2-(methylaminomethyl)aniline?
The InChIKey is WDKZLBQTWFVYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O2/c1-16-11-12-13(15)5-4-6-14(12)17(7-9-18-2)8-10-19-3/h4-6,16H,7-11H2,1-3H3.
What are the key properties of 3-chloro-N,N-bis(2-methoxyethyl)-2-(methylaminomethyl)aniline?
3-chloro-N,N-bis(2-methoxyethyl)-2-(methylaminomethyl)aniline has a molecular weight of 286.80 g/mol, XLogP of 2.16, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,N-bis(2-methoxyethyl)-2-(methylaminomethyl)aniline is sourced from PubChem (CID 61418447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).