4-(2-aminoethyl)-2-chloro-N-ethyl-N-(2-methylphenyl)aniline

C17H21ClN2 — CID 81165834

IUPAC4-(2-aminoethyl)-2-chloro-N-ethyl-N-(2-methylphenyl)aniline
SMILESCCN(c1ccccc1C)c1ccc(CCN)cc1Cl
InChIInChI=1S/C17H21ClN2/c1-3-20(16-7-5-4-6-13(16)2)17-9-8-14(10-11-19)12-15(17)18/h4-9,12H,3,10-11,19H2,1-2H3
InChIKeyQYUGTUIUGOEGMD-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.31
Rot. Bonds5

About 4-(2-aminoethyl)-2-chloro-N-ethyl-N-(2-methylphenyl)aniline

4-(2-aminoethyl)-2-chloro-N-ethyl-N-(2-methylphenyl)aniline (PubChem CID 81165834) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is 4-(2-aminoethyl)-2-chloro-N-ethyl-N-(2-methylphenyl)aniline.

Molecular Properties

Compound Name4-(2-aminoethyl)-2-chloro-N-ethyl-N-(2-methylphenyl)aniline
PubChem CID81165834
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC Name4-(2-aminoethyl)-2-chloro-N-ethyl-N-(2-methylphenyl)aniline
SMILESCCN(c1ccccc1C)c1ccc(CCN)cc1Cl
InChIInChI=1S/C17H21ClN2/c1-3-20(16-7-5-4-6-13(16)2)17-9-8-14(10-11-19)12-15(17)18/h4-9,12H,3,10-11,19H2,1-2H3
InChIKeyQYUGTUIUGOEGMD-UHFFFAOYSA-N
XLogP4.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-2-chloro-N-ethyl-N-(2-methylphenyl)aniline?
The IUPAC name of 4-(2-aminoethyl)-2-chloro-N-ethyl-N-(2-methylphenyl)aniline (CID 81165834) is 4-(2-aminoethyl)-2-chloro-N-ethyl-N-(2-methylphenyl)aniline.
What is the SMILES notation for 4-(2-aminoethyl)-2-chloro-N-ethyl-N-(2-methylphenyl)aniline?
The canonical SMILES for 4-(2-aminoethyl)-2-chloro-N-ethyl-N-(2-methylphenyl)aniline is CCN(c1ccccc1C)c1ccc(CCN)cc1Cl.
What is the InChIKey of 4-(2-aminoethyl)-2-chloro-N-ethyl-N-(2-methylphenyl)aniline?
The InChIKey is QYUGTUIUGOEGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-3-20(16-7-5-4-6-13(16)2)17-9-8-14(10-11-19)12-15(17)18/h4-9,12H,3,10-11,19H2,1-2H3.
What are the key properties of 4-(2-aminoethyl)-2-chloro-N-ethyl-N-(2-methylphenyl)aniline?
4-(2-aminoethyl)-2-chloro-N-ethyl-N-(2-methylphenyl)aniline has a molecular weight of 288.82 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-2-chloro-N-ethyl-N-(2-methylphenyl)aniline is sourced from PubChem (CID 81165834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).