4-(2-aminoethyl)-2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)aniline

C16H20ClN3 — CID 81165802

IUPAC4-(2-aminoethyl)-2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)aniline
SMILESCCN(Cc1ccccn1)c1ccc(CCN)cc1Cl
InChIInChI=1S/C16H20ClN3/c1-2-20(12-14-5-3-4-10-19-14)16-7-6-13(8-9-18)11-15(16)17/h3-7,10-11H,2,8-9,12,18H2,1H3
InChIKeyHZUZEULOFIFDOJ-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.26
Rot. Bonds6

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

4-(2-aminoethyl)-2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)aniline (PubChem CID 81165802) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 4-(2-aminoethyl)-2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-(2-aminoethyl)-2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)aniline
PubChem CID81165802
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name4-(2-aminoethyl)-2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)aniline
SMILESCCN(Cc1ccccn1)c1ccc(CCN)cc1Cl
InChIInChI=1S/C16H20ClN3/c1-2-20(12-14-5-3-4-10-19-14)16-7-6-13(8-9-18)11-15(16)17/h3-7,10-11H,2,8-9,12,18H2,1H3
InChIKeyHZUZEULOFIFDOJ-UHFFFAOYSA-N
XLogP3.26
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(bromomethyl)-2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)aniline
CID 107084678
4-(2-aminoethyl)-2-chloro-N-ethyl-N-phenylaniline
CID 81166285
4-(2-aminoethyl)-2-chloro-N-ethyl-N-propylaniline
CID 81166516
2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-4-amine
CID 102809534
4-(2-aminoethyl)-2-chloro-N-ethyl-N-(2-methylphenyl)aniline
CID 81165834
1-N-ethyl-4-fluoro-5-methyl-1-N-(pyridin-2-ylmethyl)benzene-1,2-diamine
CID 103590580
2-chloro-N-methyl-4-(propylaminomethyl)-N-(pyridin-2-ylmethyl)aniline
CID 81147198
4-(aminomethyl)-2-chloro-N-ethyl-N-phenylaniline
CID 78924406
4-(aminomethyl)-2-chloro-N-ethyl-N-(furan-2-ylmethyl)aniline
CID 63087512
4-(2-aminoethyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline
CID 81166238
N-ethyl-4,6-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 133404102
4-(2-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 63784582

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)aniline?
The IUPAC name of 4-(2-aminoethyl)-2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)aniline (CID 81165802) is 4-(2-aminoethyl)-2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)aniline.
What is the SMILES notation for 4-(2-aminoethyl)-2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)aniline?
The canonical SMILES for 4-(2-aminoethyl)-2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)aniline is CCN(Cc1ccccn1)c1ccc(CCN)cc1Cl.
What is the InChIKey of 4-(2-aminoethyl)-2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)aniline?
The InChIKey is HZUZEULOFIFDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-2-20(12-14-5-3-4-10-19-14)16-7-6-13(8-9-18)11-15(16)17/h3-7,10-11H,2,8-9,12,18H2,1H3.
What are the key properties of 4-(2-aminoethyl)-2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)aniline?
4-(2-aminoethyl)-2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)aniline has a molecular weight of 289.81 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)aniline is sourced from PubChem (CID 81165802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).