1-(2-chlorophenyl)-N-[(4-chloro-2-pyridinyl)methyl]-N-methylethanamine

C15H16Cl2N2 — CID 79255628

IUPAC1-(2-chlorophenyl)-N-[(4-chloro-2-pyridinyl)methyl]-N-methylethanamine
SMILESCC(c1ccccc1Cl)N(C)Cc1cc(Cl)ccn1
InChIInChI=1S/C15H16Cl2N2/c1-11(14-5-3-4-6-15(14)17)19(2)10-13-9-12(16)7-8-18-13/h3-9,11H,10H2,1-2H3
InChIKeyDGKBRBXBBJYUHS-UHFFFAOYSA-N
MW295.21 g/mol
LogP4.58
Rot. Bonds4

About 1-(2-chlorophenyl)-N-[(4-chloro-2-pyridinyl)methyl]-N-methylethanamine

1-(2-chlorophenyl)-N-[(4-chloro-2-pyridinyl)methyl]-N-methylethanamine (PubChem CID 79255628) has the molecular formula C15H16Cl2N2 and a molecular weight of 295.21 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(4-chloro-2-pyridinyl)methyl]-N-methylethanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(4-chloro-2-pyridinyl)methyl]-N-methylethanamine
PubChem CID79255628
Molecular FormulaC15H16Cl2N2
Molecular Weight295.21 g/mol
Exact Mass294.07
IUPAC Name1-(2-chlorophenyl)-N-[(4-chloro-2-pyridinyl)methyl]-N-methylethanamine
SMILESCC(c1ccccc1Cl)N(C)Cc1cc(Cl)ccn1
InChIInChI=1S/C15H16Cl2N2/c1-11(14-5-3-4-6-15(14)17)19(2)10-13-9-12(16)7-8-18-13/h3-9,11H,10H2,1-2H3
InChIKeyDGKBRBXBBJYUHS-UHFFFAOYSA-N
XLogP4.58
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]pyridin-4-amine
CID 79251856
6-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]-N-methylpyridin-2-amine
CID 79234609
N-[[2-(aminomethyl)phenyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 62980012
N-[(3-bromo-4-fluorophenyl)methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 63459012
2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-N-methylpyridin-4-amine
CID 79250925
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 107500896
1-(2-chlorophenyl)-N-ethyl-N-methylethanamine
CID 126986399
N-[(4-chloro-2-pyridinyl)methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 79255061
N-[(4-chloro-2-pyridinyl)methyl]-N-ethylaniline
CID 79255784
2-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]pyridin-4-amine
CID 79251688
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 107113377
2-chloro-5-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]aniline
CID 62979816

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(4-chloro-2-pyridinyl)methyl]-N-methylethanamine?
The IUPAC name of 1-(2-chlorophenyl)-N-[(4-chloro-2-pyridinyl)methyl]-N-methylethanamine (CID 79255628) is 1-(2-chlorophenyl)-N-[(4-chloro-2-pyridinyl)methyl]-N-methylethanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(4-chloro-2-pyridinyl)methyl]-N-methylethanamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(4-chloro-2-pyridinyl)methyl]-N-methylethanamine is CC(c1ccccc1Cl)N(C)Cc1cc(Cl)ccn1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(4-chloro-2-pyridinyl)methyl]-N-methylethanamine?
The InChIKey is DGKBRBXBBJYUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2/c1-11(14-5-3-4-6-15(14)17)19(2)10-13-9-12(16)7-8-18-13/h3-9,11H,10H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-N-[(4-chloro-2-pyridinyl)methyl]-N-methylethanamine?
1-(2-chlorophenyl)-N-[(4-chloro-2-pyridinyl)methyl]-N-methylethanamine has a molecular weight of 295.21 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[(4-chloro-2-pyridinyl)methyl]-N-methylethanamine is sourced from PubChem (CID 79255628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).