2-(2-aminoethyl)-5-chloro-N-methyl-N-(pyridin-4-ylmethyl)aniline

C15H18ClN3 — CID 114860692

IUPAC2-(2-aminoethyl)-5-chloro-N-methyl-N-(pyridin-4-ylmethyl)aniline
SMILESCN(Cc1ccncc1)c1cc(Cl)ccc1CCN
InChIInChI=1S/C15H18ClN3/c1-19(11-12-5-8-18-9-6-12)15-10-14(16)3-2-13(15)4-7-17/h2-3,5-6,8-10H,4,7,11,17H2,1H3
InChIKeyWKSDPRKASXEFRI-UHFFFAOYSA-N
MW275.78 g/mol
LogP2.87
Rot. Bonds5

About 2-(2-aminoethyl)-5-chloro-N-methyl-N-(pyridin-4-ylmethyl)aniline

2-(2-aminoethyl)-5-chloro-N-methyl-N-(pyridin-4-ylmethyl)aniline (PubChem CID 114860692) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-(2-aminoethyl)-5-chloro-N-methyl-N-(pyridin-4-ylmethyl)aniline.

Molecular Properties

Compound Name2-(2-aminoethyl)-5-chloro-N-methyl-N-(pyridin-4-ylmethyl)aniline
PubChem CID114860692
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name2-(2-aminoethyl)-5-chloro-N-methyl-N-(pyridin-4-ylmethyl)aniline
SMILESCN(Cc1ccncc1)c1cc(Cl)ccc1CCN
InChIInChI=1S/C15H18ClN3/c1-19(11-12-5-8-18-9-6-12)15-10-14(16)3-2-13(15)4-7-17/h2-3,5-6,8-10H,4,7,11,17H2,1H3
InChIKeyWKSDPRKASXEFRI-UHFFFAOYSA-N
XLogP2.87
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminoethyl)-4-chloro-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 114860694
2-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-5-chloro-N-methylaniline
CID 114861618
5-chloro-2-(ethylaminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 114848350
2-(2-aminoethyl)-4-chloro-N-[(4-chlorophenyl)methyl]-N-methylaniline
CID 114861541
2-(2-aminoethyl)-N-[(2-bromophenyl)methyl]-5-chloro-N-methylaniline
CID 114861370
2-(bromomethyl)-5-chloro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 107080718
[4-chloro-2-[(4-chlorophenyl)methyl-methylamino]phenyl]methanol
CID 114845317
2-(aminomethyl)-5-methoxy-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 81299898
4-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 114848346
2-(2-aminoethyl)-5-bromo-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 55237548
2-(2-aminoethyl)-5-bromo-N-methyl-N-[(4-methylphenyl)methyl]aniline
CID 63783047
4-(2-aminoethyl)-N-[(4-chlorophenyl)methyl]-N,3-dimethylaniline
CID 63785395

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-5-chloro-N-methyl-N-(pyridin-4-ylmethyl)aniline?
The IUPAC name of 2-(2-aminoethyl)-5-chloro-N-methyl-N-(pyridin-4-ylmethyl)aniline (CID 114860692) is 2-(2-aminoethyl)-5-chloro-N-methyl-N-(pyridin-4-ylmethyl)aniline.
What is the SMILES notation for 2-(2-aminoethyl)-5-chloro-N-methyl-N-(pyridin-4-ylmethyl)aniline?
The canonical SMILES for 2-(2-aminoethyl)-5-chloro-N-methyl-N-(pyridin-4-ylmethyl)aniline is CN(Cc1ccncc1)c1cc(Cl)ccc1CCN.
What is the InChIKey of 2-(2-aminoethyl)-5-chloro-N-methyl-N-(pyridin-4-ylmethyl)aniline?
The InChIKey is WKSDPRKASXEFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-19(11-12-5-8-18-9-6-12)15-10-14(16)3-2-13(15)4-7-17/h2-3,5-6,8-10H,4,7,11,17H2,1H3.
What are the key properties of 2-(2-aminoethyl)-5-chloro-N-methyl-N-(pyridin-4-ylmethyl)aniline?
2-(2-aminoethyl)-5-chloro-N-methyl-N-(pyridin-4-ylmethyl)aniline has a molecular weight of 275.78 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-5-chloro-N-methyl-N-(pyridin-4-ylmethyl)aniline is sourced from PubChem (CID 114860692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).