N-[1-(2-chlorophenyl)ethyl]-4-(ethylaminomethyl)-N-methylpyridin-3-amine

C17H22ClN3 — CID 105073791

IUPACN-[1-(2-chlorophenyl)ethyl]-4-(ethylaminomethyl)-N-methylpyridin-3-amine
SMILESCCNCc1ccncc1N(C)C(C)c1ccccc1Cl
InChIInChI=1S/C17H22ClN3/c1-4-19-11-14-9-10-20-12-17(14)21(3)13(2)15-7-5-6-8-16(15)18/h5-10,12-13,19H,4,11H2,1-3H3
InChIKeyUATMUQAXGBCWRR-UHFFFAOYSA-N
MW303.84 g/mol
LogP4.04
Rot. Bonds6

About N-[1-(2-chlorophenyl)ethyl]-4-(ethylaminomethyl)-N-methylpyridin-3-amine

N-[1-(2-chlorophenyl)ethyl]-4-(ethylaminomethyl)-N-methylpyridin-3-amine (PubChem CID 105073791) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-4-(ethylaminomethyl)-N-methylpyridin-3-amine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-4-(ethylaminomethyl)-N-methylpyridin-3-amine
PubChem CID105073791
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-4-(ethylaminomethyl)-N-methylpyridin-3-amine
SMILESCCNCc1ccncc1N(C)C(C)c1ccccc1Cl
InChIInChI=1S/C17H22ClN3/c1-4-19-11-14-9-10-20-12-17(14)21(3)13(2)15-7-5-6-8-16(15)18/h5-10,12-13,19H,4,11H2,1-3H3
InChIKeyUATMUQAXGBCWRR-UHFFFAOYSA-N
XLogP4.04
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-4-(ethylaminomethyl)-N-methylpyridin-3-amine?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-4-(ethylaminomethyl)-N-methylpyridin-3-amine (CID 105073791) is N-[1-(2-chlorophenyl)ethyl]-4-(ethylaminomethyl)-N-methylpyridin-3-amine.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-4-(ethylaminomethyl)-N-methylpyridin-3-amine?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-4-(ethylaminomethyl)-N-methylpyridin-3-amine is CCNCc1ccncc1N(C)C(C)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-4-(ethylaminomethyl)-N-methylpyridin-3-amine?
The InChIKey is UATMUQAXGBCWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-4-19-11-14-9-10-20-12-17(14)21(3)13(2)15-7-5-6-8-16(15)18/h5-10,12-13,19H,4,11H2,1-3H3.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-4-(ethylaminomethyl)-N-methylpyridin-3-amine?
N-[1-(2-chlorophenyl)ethyl]-4-(ethylaminomethyl)-N-methylpyridin-3-amine has a molecular weight of 303.84 g/mol, XLogP of 4.04, 6 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]-4-(ethylaminomethyl)-N-methylpyridin-3-amine is sourced from PubChem (CID 105073791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).