N-[1-(2-chlorophenyl)ethyl]-N,3-dimethyl-5-(methylaminomethyl)pyridin-2-amine

C17H22ClN3 — CID 80638564

IUPACN-[1-(2-chlorophenyl)ethyl]-N,3-dimethyl-5-(methylaminomethyl)pyridin-2-amine
SMILESCNCc1cnc(N(C)C(C)c2ccccc2Cl)c(C)c1
InChIInChI=1S/C17H22ClN3/c1-12-9-14(10-19-3)11-20-17(12)21(4)13(2)15-7-5-6-8-16(15)18/h5-9,11,13,19H,10H2,1-4H3
InChIKeyDYIYLQMJHWWQNA-UHFFFAOYSA-N
MW303.84 g/mol
LogP3.96
Rot. Bonds5

About N-[1-(2-chlorophenyl)ethyl]-N,3-dimethyl-5-(methylaminomethyl)pyridin-2-amine

N-[1-(2-chlorophenyl)ethyl]-N,3-dimethyl-5-(methylaminomethyl)pyridin-2-amine (PubChem CID 80638564) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-N,3-dimethyl-5-(methylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-N,3-dimethyl-5-(methylaminomethyl)pyridin-2-amine
PubChem CID80638564
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-N,3-dimethyl-5-(methylaminomethyl)pyridin-2-amine
SMILESCNCc1cnc(N(C)C(C)c2ccccc2Cl)c(C)c1
InChIInChI=1S/C17H22ClN3/c1-12-9-14(10-19-3)11-20-17(12)21(4)13(2)15-7-5-6-8-16(15)18/h5-9,11,13,19H,10H2,1-4H3
InChIKeyDYIYLQMJHWWQNA-UHFFFAOYSA-N
XLogP3.96
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 62985251
N-[1-(2-chlorophenyl)ethyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine
CID 62985079
5-(2-aminoethyl)-N-[1-(2-fluorophenyl)ethyl]-N,3-dimethylpyridin-2-amine
CID 80636823
4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethyl-4-N,5-dimethylpyrimidine-2,4-diamine
CID 80809188
5-(chloromethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylpyrimidin-2-amine
CID 113387953
N-[1-(2-chlorophenyl)ethyl]-N,4-dimethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62984953
N,3-dimethyl-5-(methylaminomethyl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 80628377
N,3-dimethyl-5-(methylaminomethyl)-N-(2-pyridin-2-ylethyl)pyridin-2-amine
CID 80629000
N-ethyl-3-methyl-5-(methylaminomethyl)-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 80635618
N-butan-2-yl-N,3-dimethyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 80629582
1-(4-chloro-3-propan-2-ylphenyl)-N-methylmethanamine
CID 142068001
5-(2-aminopropyl)-N-[(2-chlorophenyl)methyl]-N,3-dimethylpyridin-2-amine
CID 80630036

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-N,3-dimethyl-5-(methylaminomethyl)pyridin-2-amine?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-N,3-dimethyl-5-(methylaminomethyl)pyridin-2-amine (CID 80638564) is N-[1-(2-chlorophenyl)ethyl]-N,3-dimethyl-5-(methylaminomethyl)pyridin-2-amine.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-N,3-dimethyl-5-(methylaminomethyl)pyridin-2-amine?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-N,3-dimethyl-5-(methylaminomethyl)pyridin-2-amine is CNCc1cnc(N(C)C(C)c2ccccc2Cl)c(C)c1.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-N,3-dimethyl-5-(methylaminomethyl)pyridin-2-amine?
The InChIKey is DYIYLQMJHWWQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-12-9-14(10-19-3)11-20-17(12)21(4)13(2)15-7-5-6-8-16(15)18/h5-9,11,13,19H,10H2,1-4H3.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-N,3-dimethyl-5-(methylaminomethyl)pyridin-2-amine?
N-[1-(2-chlorophenyl)ethyl]-N,3-dimethyl-5-(methylaminomethyl)pyridin-2-amine has a molecular weight of 303.84 g/mol, XLogP of 3.96, 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,3-dimethyl-5-(methylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 80638564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).