2-(2-aminopropyl)-5-chloro-N-ethyl-N-(pyridin-4-ylmethyl)aniline

C17H22ClN3 — CID 114861171

IUPAC2-(2-aminopropyl)-5-chloro-N-ethyl-N-(pyridin-4-ylmethyl)aniline
SMILESCCN(Cc1ccncc1)c1cc(Cl)ccc1CC(C)N
InChIInChI=1S/C17H22ClN3/c1-3-21(12-14-6-8-20-9-7-14)17-11-16(18)5-4-15(17)10-13(2)19/h4-9,11,13H,3,10,12,19H2,1-2H3
InChIKeyIYFIZBLRBUDNBJ-UHFFFAOYSA-N
MW303.84 g/mol
LogP3.65
Rot. Bonds6

About 2-(2-aminopropyl)-5-chloro-N-ethyl-N-(pyridin-4-ylmethyl)aniline

2-(2-aminopropyl)-5-chloro-N-ethyl-N-(pyridin-4-ylmethyl)aniline (PubChem CID 114861171) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is 2-(2-aminopropyl)-5-chloro-N-ethyl-N-(pyridin-4-ylmethyl)aniline.

Molecular Properties

Compound Name2-(2-aminopropyl)-5-chloro-N-ethyl-N-(pyridin-4-ylmethyl)aniline
PubChem CID114861171
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC Name2-(2-aminopropyl)-5-chloro-N-ethyl-N-(pyridin-4-ylmethyl)aniline
SMILESCCN(Cc1ccncc1)c1cc(Cl)ccc1CC(C)N
InChIInChI=1S/C17H22ClN3/c1-3-21(12-14-6-8-20-9-7-14)17-11-16(18)5-4-15(17)10-13(2)19/h4-9,11,13H,3,10,12,19H2,1-2H3
InChIKeyIYFIZBLRBUDNBJ-UHFFFAOYSA-N
XLogP3.65
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-5-chloro-N-ethyl-N-(pyridin-4-ylmethyl)aniline?
The IUPAC name of 2-(2-aminopropyl)-5-chloro-N-ethyl-N-(pyridin-4-ylmethyl)aniline (CID 114861171) is 2-(2-aminopropyl)-5-chloro-N-ethyl-N-(pyridin-4-ylmethyl)aniline.
What is the SMILES notation for 2-(2-aminopropyl)-5-chloro-N-ethyl-N-(pyridin-4-ylmethyl)aniline?
The canonical SMILES for 2-(2-aminopropyl)-5-chloro-N-ethyl-N-(pyridin-4-ylmethyl)aniline is CCN(Cc1ccncc1)c1cc(Cl)ccc1CC(C)N.
What is the InChIKey of 2-(2-aminopropyl)-5-chloro-N-ethyl-N-(pyridin-4-ylmethyl)aniline?
The InChIKey is IYFIZBLRBUDNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-3-21(12-14-6-8-20-9-7-14)17-11-16(18)5-4-15(17)10-13(2)19/h4-9,11,13H,3,10,12,19H2,1-2H3.
What are the key properties of 2-(2-aminopropyl)-5-chloro-N-ethyl-N-(pyridin-4-ylmethyl)aniline?
2-(2-aminopropyl)-5-chloro-N-ethyl-N-(pyridin-4-ylmethyl)aniline has a molecular weight of 303.84 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-5-chloro-N-ethyl-N-(pyridin-4-ylmethyl)aniline is sourced from PubChem (CID 114861171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).