2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]pyridin-4-amine

C15H18ClN3 — CID 79251856

IUPAC2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]pyridin-4-amine
SMILESCC(c1ccccc1Cl)N(C)Cc1cc(N)ccn1
InChIInChI=1S/C15H18ClN3/c1-11(14-5-3-4-6-15(14)16)19(2)10-13-9-12(17)7-8-18-13/h3-9,11H,10H2,1-2H3,(H2,17,18)
InChIKeyLPNIHDTURATDFF-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.51
Rot. Bonds4

About 2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]pyridin-4-amine

2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]pyridin-4-amine (PubChem CID 79251856) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]pyridin-4-amine.

Molecular Properties

Compound Name2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]pyridin-4-amine
PubChem CID79251856
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]pyridin-4-amine
SMILESCC(c1ccccc1Cl)N(C)Cc1cc(N)ccn1
InChIInChI=1S/C15H18ClN3/c1-11(14-5-3-4-6-15(14)16)19(2)10-13-9-12(17)7-8-18-13/h3-9,11H,10H2,1-2H3,(H2,17,18)
InChIKeyLPNIHDTURATDFF-UHFFFAOYSA-N
XLogP3.51
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-N-[(4-chloro-2-pyridinyl)methyl]-N-methylethanamine
CID 79255628
2-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]pyridin-4-amine
CID 79251688
N-[[2-(aminomethyl)phenyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 62980012
2-chloro-5-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]aniline
CID 62979816
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 107500896
6-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]-N-methylpyridin-2-amine
CID 79234609
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 107113377
2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-N-methylpyridin-4-amine
CID 79250925
1-(2-chlorophenyl)-N-ethyl-N-methylethanamine
CID 126986399
3-[3-[1-(2-chlorophenyl)ethyl-methylamino]propyl]aniline
CID 115342075
1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylpropane-1,2-diamine
CID 62985590
4-N-[1-(2-chlorophenyl)ethyl]-4-N-methylpyrimidine-2,4-diamine
CID 80824315

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]pyridin-4-amine?
The IUPAC name of 2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]pyridin-4-amine (CID 79251856) is 2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]pyridin-4-amine.
What is the SMILES notation for 2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]pyridin-4-amine?
The canonical SMILES for 2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]pyridin-4-amine is CC(c1ccccc1Cl)N(C)Cc1cc(N)ccn1.
What is the InChIKey of 2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]pyridin-4-amine?
The InChIKey is LPNIHDTURATDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-11(14-5-3-4-6-15(14)16)19(2)10-13-9-12(17)7-8-18-13/h3-9,11H,10H2,1-2H3,(H2,17,18).
What are the key properties of 2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]pyridin-4-amine?
2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]pyridin-4-amine has a molecular weight of 275.78 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]pyridin-4-amine is sourced from PubChem (CID 79251856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).