4-(aminomethyl)-3-chloro-N-ethyl-N-(pyridin-4-ylmethyl)aniline

C15H18ClN3 — CID 62944857

IUPAC4-(aminomethyl)-3-chloro-N-ethyl-N-(pyridin-4-ylmethyl)aniline
SMILESCCN(Cc1ccncc1)c1ccc(CN)c(Cl)c1
InChIInChI=1S/C15H18ClN3/c1-2-19(11-12-5-7-18-8-6-12)14-4-3-13(10-17)15(16)9-14/h3-9H,2,10-11,17H2,1H3
InChIKeyXDIMSPHHPWLXRA-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.22
Rot. Bonds5

About 4-(aminomethyl)-3-chloro-N-ethyl-N-(pyridin-4-ylmethyl)aniline

4-(aminomethyl)-3-chloro-N-ethyl-N-(pyridin-4-ylmethyl)aniline (PubChem CID 62944857) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 4-(aminomethyl)-3-chloro-N-ethyl-N-(pyridin-4-ylmethyl)aniline.

Molecular Properties

Compound Name4-(aminomethyl)-3-chloro-N-ethyl-N-(pyridin-4-ylmethyl)aniline
PubChem CID62944857
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name4-(aminomethyl)-3-chloro-N-ethyl-N-(pyridin-4-ylmethyl)aniline
SMILESCCN(Cc1ccncc1)c1ccc(CN)c(Cl)c1
InChIInChI=1S/C15H18ClN3/c1-2-19(11-12-5-7-18-8-6-12)14-4-3-13(10-17)15(16)9-14/h3-9H,2,10-11,17H2,1H3
InChIKeyXDIMSPHHPWLXRA-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-methyl-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)aniline
CID 62136400
[2-chloro-4-[ethyl(pyridin-3-ylmethyl)amino]phenyl]methanol
CID 155811296
2-[2-amino-5-[ethyl(pyridin-4-ylmethyl)amino]phenyl]acetonitrile
CID 102624019
2-(2-aminopropyl)-5-chloro-N-ethyl-N-(pyridin-4-ylmethyl)aniline
CID 114861171
4-N-ethyl-2-N-methyl-4-N-(pyridin-4-ylmethyl)pyridine-2,4-diamine
CID 113367608
4-(aminomethyl)-N-ethyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 54948605
N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N-ethyl-4-methylaniline
CID 102662903
1-[2-amino-4-[ethyl(pyridin-4-ylmethyl)amino]phenyl]ethanone
CID 104528528
4-(aminomethyl)-3-chloro-N-ethyl-N-propan-2-ylaniline
CID 62946685
4-[ethyl(pyridin-4-ylmethyl)amino]benzenecarbothioamide
CID 61449401
2-[4-(aminomethyl)-3-chloro-N-(2-hydroxyethyl)anilino]ethanol
CID 62946184
4-[ethyl(pyridin-4-ylmethyl)amino]-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81272941

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-chloro-N-ethyl-N-(pyridin-4-ylmethyl)aniline?
The IUPAC name of 4-(aminomethyl)-3-chloro-N-ethyl-N-(pyridin-4-ylmethyl)aniline (CID 62944857) is 4-(aminomethyl)-3-chloro-N-ethyl-N-(pyridin-4-ylmethyl)aniline.
What is the SMILES notation for 4-(aminomethyl)-3-chloro-N-ethyl-N-(pyridin-4-ylmethyl)aniline?
The canonical SMILES for 4-(aminomethyl)-3-chloro-N-ethyl-N-(pyridin-4-ylmethyl)aniline is CCN(Cc1ccncc1)c1ccc(CN)c(Cl)c1.
What is the InChIKey of 4-(aminomethyl)-3-chloro-N-ethyl-N-(pyridin-4-ylmethyl)aniline?
The InChIKey is XDIMSPHHPWLXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-2-19(11-12-5-7-18-8-6-12)14-4-3-13(10-17)15(16)9-14/h3-9H,2,10-11,17H2,1H3.
What are the key properties of 4-(aminomethyl)-3-chloro-N-ethyl-N-(pyridin-4-ylmethyl)aniline?
4-(aminomethyl)-3-chloro-N-ethyl-N-(pyridin-4-ylmethyl)aniline has a molecular weight of 275.78 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-chloro-N-ethyl-N-(pyridin-4-ylmethyl)aniline is sourced from PubChem (CID 62944857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).