4-(2-aminoethyl)-2-chloro-N-ethyl-N-phenylaniline

C16H19ClN2 — CID 81166285

IUPAC4-(2-aminoethyl)-2-chloro-N-ethyl-N-phenylaniline
SMILESCCN(c1ccccc1)c1ccc(CCN)cc1Cl
InChIInChI=1S/C16H19ClN2/c1-2-19(14-6-4-3-5-7-14)16-9-8-13(10-11-18)12-15(16)17/h3-9,12H,2,10-11,18H2,1H3
InChIKeyARHLNOQDGNDKBU-UHFFFAOYSA-N
MW274.80 g/mol
LogP4.00
Rot. Bonds5

About 4-(2-aminoethyl)-2-chloro-N-ethyl-N-phenylaniline

4-(2-aminoethyl)-2-chloro-N-ethyl-N-phenylaniline (PubChem CID 81166285) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 4-(2-aminoethyl)-2-chloro-N-ethyl-N-phenylaniline.

Molecular Properties

Compound Name4-(2-aminoethyl)-2-chloro-N-ethyl-N-phenylaniline
PubChem CID81166285
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name4-(2-aminoethyl)-2-chloro-N-ethyl-N-phenylaniline
SMILESCCN(c1ccccc1)c1ccc(CCN)cc1Cl
InChIInChI=1S/C16H19ClN2/c1-2-19(14-6-4-3-5-7-14)16-9-8-13(10-11-18)12-15(16)17/h3-9,12H,2,10-11,18H2,1H3
InChIKeyARHLNOQDGNDKBU-UHFFFAOYSA-N
XLogP4.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-2-chloro-N-ethyl-N-phenylaniline
CID 78924406
4-(2-aminoethyl)-2-chloro-N-ethyl-N-(2-methylphenyl)aniline
CID 81165834
2-(2-aminoethyl)-4-chloro-N-ethyl-N-phenylaniline
CID 114860392
4-(2-aminoethyl)-2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)aniline
CID 81165802
4-(2-aminoethyl)-N-ethyl-N-(3-fluorophenyl)-2-methylaniline
CID 63786177
4-(2-aminoethyl)-2-chloro-N-ethyl-N-propylaniline
CID 81166516
4-(2-aminoethyl)-2-chloro-N-methyl-N-(3-methylphenyl)aniline
CID 81166461
3-chloro-4-(N-ethylanilino)-N'-hydroxybenzenecarboximidamide
CID 76984250
2-chloro-N-ethyl-4-[1-(methylamino)ethyl]-N-phenylaniline
CID 63533263
2-chloro-4-(chloromethyl)-N-ethyl-N-(2-fluorophenyl)aniline
CID 81151857
3-chloro-1-N-ethyl-1-N-phenylbenzene-1,2-diamine
CID 113458493
2-bromo-4-(chloromethyl)-N-ethyl-N-phenylaniline
CID 114062458

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-2-chloro-N-ethyl-N-phenylaniline?
The IUPAC name of 4-(2-aminoethyl)-2-chloro-N-ethyl-N-phenylaniline (CID 81166285) is 4-(2-aminoethyl)-2-chloro-N-ethyl-N-phenylaniline.
What is the SMILES notation for 4-(2-aminoethyl)-2-chloro-N-ethyl-N-phenylaniline?
The canonical SMILES for 4-(2-aminoethyl)-2-chloro-N-ethyl-N-phenylaniline is CCN(c1ccccc1)c1ccc(CCN)cc1Cl.
What is the InChIKey of 4-(2-aminoethyl)-2-chloro-N-ethyl-N-phenylaniline?
The InChIKey is ARHLNOQDGNDKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-2-19(14-6-4-3-5-7-14)16-9-8-13(10-11-18)12-15(16)17/h3-9,12H,2,10-11,18H2,1H3.
What are the key properties of 4-(2-aminoethyl)-2-chloro-N-ethyl-N-phenylaniline?
4-(2-aminoethyl)-2-chloro-N-ethyl-N-phenylaniline has a molecular weight of 274.80 g/mol, XLogP of 4.00, 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-phenylaniline is sourced from PubChem (CID 81166285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).