N-[(2-chlorophenyl)methyl]-6-[1-(ethylamino)ethyl]-N-methylpyridin-3-amine

C17H22ClN3 — CID 83111933

IUPACN-[(2-chlorophenyl)methyl]-6-[1-(ethylamino)ethyl]-N-methylpyridin-3-amine
SMILESCCNC(C)c1ccc(N(C)Cc2ccccc2Cl)cn1
InChIInChI=1S/C17H22ClN3/c1-4-19-13(2)17-10-9-15(11-20-17)21(3)12-14-7-5-6-8-16(14)18/h5-11,13,19H,4,12H2,1-3H3
InChIKeyMIYSLXFTKPFZGO-UHFFFAOYSA-N
MW303.84 g/mol
LogP4.04
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-6-[1-(ethylamino)ethyl]-N-methylpyridin-3-amine

N-[(2-chlorophenyl)methyl]-6-[1-(ethylamino)ethyl]-N-methylpyridin-3-amine (PubChem CID 83111933) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-6-[1-(ethylamino)ethyl]-N-methylpyridin-3-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-6-[1-(ethylamino)ethyl]-N-methylpyridin-3-amine
PubChem CID83111933
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC NameN-[(2-chlorophenyl)methyl]-6-[1-(ethylamino)ethyl]-N-methylpyridin-3-amine
SMILESCCNC(C)c1ccc(N(C)Cc2ccccc2Cl)cn1
InChIInChI=1S/C17H22ClN3/c1-4-19-13(2)17-10-9-15(11-20-17)21(3)12-14-7-5-6-8-16(14)18/h5-11,13,19H,4,12H2,1-3H3
InChIKeyMIYSLXFTKPFZGO-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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Related Compounds

6-[1-(ethylamino)ethyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-3-amine
CID 83127053
N-[(2-fluorophenyl)methyl]-N-methyl-6-[1-(methylamino)ethyl]pyridin-3-amine
CID 83121997
6-[1-(ethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine
CID 83127304
N-(2-ethoxyethyl)-6-[1-(ethylamino)ethyl]-N-methylpyridin-3-amine
CID 83127164
N-[(2-chlorophenyl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106960112
6-[1-(ethylamino)ethyl]-N-methyl-N-(2-propan-2-yloxyethyl)pyridin-3-amine
CID 83127484
5-[(2-chlorophenyl)methyl-methylamino]pyridine-2-carboxylic acid
CID 113321608
6-[1-(ethylamino)ethyl]-N-(4-ethylphenyl)-N-methylpyridin-3-amine
CID 83111006
1-[[6-[1-(ethylamino)ethyl]-3-pyridinyl]-methylamino]-3-methoxypropan-2-ol
CID 83121929
6-(1-aminoethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-3-amine
CID 83123075
6-[1-(ethylamino)ethyl]-N-methyl-N-(4-methylcyclohexyl)pyridin-3-amine
CID 83122085
N-[(5-chlorothiophen-2-yl)methyl]-6-[1-(ethylamino)propyl]-N-methylpyridin-3-amine
CID 115939367

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-6-[1-(ethylamino)ethyl]-N-methylpyridin-3-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-6-[1-(ethylamino)ethyl]-N-methylpyridin-3-amine (CID 83111933) is N-[(2-chlorophenyl)methyl]-6-[1-(ethylamino)ethyl]-N-methylpyridin-3-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-6-[1-(ethylamino)ethyl]-N-methylpyridin-3-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-6-[1-(ethylamino)ethyl]-N-methylpyridin-3-amine is CCNC(C)c1ccc(N(C)Cc2ccccc2Cl)cn1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-6-[1-(ethylamino)ethyl]-N-methylpyridin-3-amine?
The InChIKey is MIYSLXFTKPFZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-4-19-13(2)17-10-9-15(11-20-17)21(3)12-14-7-5-6-8-16(14)18/h5-11,13,19H,4,12H2,1-3H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-6-[1-(ethylamino)ethyl]-N-methylpyridin-3-amine?
N-[(2-chlorophenyl)methyl]-6-[1-(ethylamino)ethyl]-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-[(2-chlorophenyl)methyl]-6-[1-(ethylamino)ethyl]-N-methylpyridin-3-amine is sourced from PubChem (CID 83111933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).