N-[[2-chloro-5-(pyridin-4-ylmethyl)phenyl]methyl]ethanamine

C15H17ClN2 — CID 114076744

IUPACN-[[2-chloro-5-(pyridin-4-ylmethyl)phenyl]methyl]ethanamine
SMILESCCNCc1cc(Cc2ccncc2)ccc1Cl
InChIInChI=1S/C15H17ClN2/c1-2-17-11-14-10-13(3-4-15(14)16)9-12-5-7-18-8-6-12/h3-8,10,17H,2,9,11H2,1H3
InChIKeyLTQXGIPTMYXISR-UHFFFAOYSA-N
MW260.77 g/mol
LogP3.44
Rot. Bonds5

About N-[[2-chloro-5-(pyridin-4-ylmethyl)phenyl]methyl]ethanamine

N-[[2-chloro-5-(pyridin-4-ylmethyl)phenyl]methyl]ethanamine (PubChem CID 114076744) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is N-[[2-chloro-5-(pyridin-4-ylmethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-chloro-5-(pyridin-4-ylmethyl)phenyl]methyl]ethanamine
PubChem CID114076744
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC NameN-[[2-chloro-5-(pyridin-4-ylmethyl)phenyl]methyl]ethanamine
SMILESCCNCc1cc(Cc2ccncc2)ccc1Cl
InChIInChI=1S/C15H17ClN2/c1-2-17-11-14-10-13(3-4-15(14)16)9-12-5-7-18-8-6-12/h3-8,10,17H,2,9,11H2,1H3
InChIKeyLTQXGIPTMYXISR-UHFFFAOYSA-N
XLogP3.44
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3,5-dichloro-2-(2-pyridin-4-ylethoxy)phenyl]methyl]ethanamine
CID 60893022
N-[(2-chloro-5-iodophenyl)methyl]ethanamine
CID 69098832
molecular hydrogen;N-(pyridin-4-ylmethyl)ethanamine
CID 145190725
4-[[4-(pyridin-4-ylmethyl)phenyl]methyl]pyridine
CID 20646252
5-chloro-2-(ethylaminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 114848350
2-chloro-N-ethyl-4-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)aniline
CID 81147968
N-[[5-(pyridin-4-ylmethyl)furan-2-yl]methyl]ethanamine
CID 106887414
N-[[4-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 81250523
N-[[2-fluoro-4-(pyridin-3-ylmethyl)phenyl]methyl]ethanamine
CID 113447026
N-[[4-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
CID 62434387
N-[(2-chlorophenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 6459303
N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;dihydrochloride
CID 163328823

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-5-(pyridin-4-ylmethyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-chloro-5-(pyridin-4-ylmethyl)phenyl]methyl]ethanamine (CID 114076744) is N-[[2-chloro-5-(pyridin-4-ylmethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-chloro-5-(pyridin-4-ylmethyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-chloro-5-(pyridin-4-ylmethyl)phenyl]methyl]ethanamine is CCNCc1cc(Cc2ccncc2)ccc1Cl.
What is the InChIKey of N-[[2-chloro-5-(pyridin-4-ylmethyl)phenyl]methyl]ethanamine?
The InChIKey is LTQXGIPTMYXISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-2-17-11-14-10-13(3-4-15(14)16)9-12-5-7-18-8-6-12/h3-8,10,17H,2,9,11H2,1H3.
What are the key properties of N-[[2-chloro-5-(pyridin-4-ylmethyl)phenyl]methyl]ethanamine?
N-[[2-chloro-5-(pyridin-4-ylmethyl)phenyl]methyl]ethanamine has a molecular weight of 260.77 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-5-(pyridin-4-ylmethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 114076744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).