2-chloro-N-ethyl-4-[1-(methylamino)ethyl]-N-phenylaniline

C17H21ClN2 — CID 63533263

IUPAC2-chloro-N-ethyl-4-[1-(methylamino)ethyl]-N-phenylaniline
SMILESCCN(c1ccccc1)c1ccc(C(C)NC)cc1Cl
InChIInChI=1S/C17H21ClN2/c1-4-20(15-8-6-5-7-9-15)17-11-10-14(12-16(17)18)13(2)19-3/h5-13,19H,4H2,1-3H3
InChIKeyMRDKUQAYIIBTGM-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.78
Rot. Bonds5

About 2-chloro-N-ethyl-4-[1-(methylamino)ethyl]-N-phenylaniline

2-chloro-N-ethyl-4-[1-(methylamino)ethyl]-N-phenylaniline (PubChem CID 63533263) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is 2-chloro-N-ethyl-4-[1-(methylamino)ethyl]-N-phenylaniline.

Molecular Properties

Compound Name2-chloro-N-ethyl-4-[1-(methylamino)ethyl]-N-phenylaniline
PubChem CID63533263
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC Name2-chloro-N-ethyl-4-[1-(methylamino)ethyl]-N-phenylaniline
SMILESCCN(c1ccccc1)c1ccc(C(C)NC)cc1Cl
InChIInChI=1S/C17H21ClN2/c1-4-20(15-8-6-5-7-9-15)17-11-10-14(12-16(17)18)13(2)19-3/h5-13,19H,4H2,1-3H3
InChIKeyMRDKUQAYIIBTGM-UHFFFAOYSA-N
XLogP4.78
TPSA15.27 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 ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1S)-1-aminoethyl]-2-chloro-N-ethyl-N-(4-fluorophenyl)aniline
CID 78935511
1-[3-chloro-4-(N-ethyl-4-fluoroanilino)phenyl]ethanol
CID 62911155
2-chloro-N-methyl-4-[1-(methylamino)ethyl]-N-(4-methylpentan-2-yl)aniline
CID 55223220
4-(aminomethyl)-2-chloro-N-ethyl-N-phenylaniline
CID 78924406
2-chloro-N-(2-fluorophenyl)-N-methyl-4-[1-(methylamino)ethyl]aniline
CID 62910475
2-chloro-N-(2-ethoxyethyl)-N-ethyl-4-[1-(methylamino)ethyl]aniline
CID 63697573
4-(2-aminoethyl)-2-chloro-N-ethyl-N-phenylaniline
CID 81166285
2-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline
CID 62909903
2-chloro-N-methyl-4-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)aniline
CID 62909051
2-chloro-N-methyl-4-[1-(methylamino)ethyl]-N-(1-methylsulfanylbutan-2-yl)aniline
CID 112660567
2-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-[1-(methylamino)ethyl]aniline
CID 62913078
2-chloro-N-[(3-chlorophenyl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline
CID 63532231

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-4-[1-(methylamino)ethyl]-N-phenylaniline?
The IUPAC name of 2-chloro-N-ethyl-4-[1-(methylamino)ethyl]-N-phenylaniline (CID 63533263) is 2-chloro-N-ethyl-4-[1-(methylamino)ethyl]-N-phenylaniline.
What is the SMILES notation for 2-chloro-N-ethyl-4-[1-(methylamino)ethyl]-N-phenylaniline?
The canonical SMILES for 2-chloro-N-ethyl-4-[1-(methylamino)ethyl]-N-phenylaniline is CCN(c1ccccc1)c1ccc(C(C)NC)cc1Cl.
What is the InChIKey of 2-chloro-N-ethyl-4-[1-(methylamino)ethyl]-N-phenylaniline?
The InChIKey is MRDKUQAYIIBTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-4-20(15-8-6-5-7-9-15)17-11-10-14(12-16(17)18)13(2)19-3/h5-13,19H,4H2,1-3H3.
What are the key properties of 2-chloro-N-ethyl-4-[1-(methylamino)ethyl]-N-phenylaniline?
2-chloro-N-ethyl-4-[1-(methylamino)ethyl]-N-phenylaniline has a molecular weight of 288.82 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-4-[1-(methylamino)ethyl]-N-phenylaniline is sourced from PubChem (CID 63533263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).