N-[1-(2-chlorophenyl)ethyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine

C16H20ClN3 — CID 62985079

IUPACN-[1-(2-chlorophenyl)ethyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine
SMILESCNCc1cccnc1N(C)C(C)c1ccccc1Cl
InChIInChI=1S/C16H20ClN3/c1-12(14-8-4-5-9-15(14)17)20(3)16-13(11-18-2)7-6-10-19-16/h4-10,12,18H,11H2,1-3H3
InChIKeyBTXZSHFLABZUAU-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.65
Rot. Bonds5

About N-[1-(2-chlorophenyl)ethyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine

N-[1-(2-chlorophenyl)ethyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine (PubChem CID 62985079) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine
PubChem CID62985079
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine
SMILESCNCc1cccnc1N(C)C(C)c1ccccc1Cl
InChIInChI=1S/C16H20ClN3/c1-12(14-8-4-5-9-15(14)17)20(3)16-13(11-18-2)7-6-10-19-16/h4-10,12,18H,11H2,1-3H3
InChIKeyBTXZSHFLABZUAU-UHFFFAOYSA-N
XLogP3.65
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-fluorophenyl)ethyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine
CID 62984909
3-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-2-amine
CID 62980697
3-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 62985251
N-methyl-3-(methylaminomethyl)-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 62287960
N-[1-(2-chlorophenyl)ethyl]-N,3-dimethyl-5-(methylaminomethyl)pyridin-2-amine
CID 80638564
N-methyl-3-(methylaminomethyl)-N-(2-methylbutyl)pyridin-2-amine
CID 62279569
1-(2-chloro-3-pyridinyl)-N-methylmethanamine
CID 22450444
N-methyl-3-(methylaminomethyl)-N-(3-methylbutyl)pyridin-2-amine
CID 62294745
N-cyclohexyl-N-methyl-3-(methylaminomethyl)pyridin-2-amine
CID 62285463
N-[1-(2-chlorophenyl)ethyl]-N,4-dimethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62984953
4-N-[1-(2-chlorophenyl)ethyl]-4-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80809381
(S)-(2-chlorophenyl)-[2-(methylaminomethyl)phenyl]methanol
CID 129386809

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine (CID 62985079) is N-[1-(2-chlorophenyl)ethyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine is CNCc1cccnc1N(C)C(C)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine?
The InChIKey is BTXZSHFLABZUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-12(14-8-4-5-9-15(14)17)20(3)16-13(11-18-2)7-6-10-19-16/h4-10,12,18H,11H2,1-3H3.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine?
N-[1-(2-chlorophenyl)ethyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine has a molecular weight of 289.81 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 62985079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).