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

C16H20ClN3 — CID 105073707

IUPACN-[(2-chlorophenyl)methyl]-4-(ethylaminomethyl)-N-methylpyridin-3-amine
SMILESCCNCc1ccncc1N(C)Cc1ccccc1Cl
InChIInChI=1S/C16H20ClN3/c1-3-18-10-13-8-9-19-11-16(13)20(2)12-14-6-4-5-7-15(14)17/h4-9,11,18H,3,10,12H2,1-2H3
InChIKeySWIOXGSNYYOVEW-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.48
Rot. Bonds6

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

N-[(2-chlorophenyl)methyl]-4-(ethylaminomethyl)-N-methylpyridin-3-amine (PubChem CID 105073707) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-(ethylaminomethyl)-N-methylpyridin-3-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-(ethylaminomethyl)-N-methylpyridin-3-amine
PubChem CID105073707
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC NameN-[(2-chlorophenyl)methyl]-4-(ethylaminomethyl)-N-methylpyridin-3-amine
SMILESCCNCc1ccncc1N(C)Cc1ccccc1Cl
InChIInChI=1S/C16H20ClN3/c1-3-18-10-13-8-9-19-11-16(13)20(2)12-14-6-4-5-7-15(14)17/h4-9,11,18H,3,10,12H2,1-2H3
InChIKeySWIOXGSNYYOVEW-UHFFFAOYSA-N
XLogP3.48
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(ethylaminomethyl)-N-methylaniline
CID 61416767
3-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-4-amine
CID 81246615
N-[1-(2-chlorophenyl)ethyl]-4-(ethylaminomethyl)-N-methylpyridin-3-amine
CID 105073791
N-[(2-chlorophenyl)methyl]-2-(ethylaminomethyl)-4-fluoro-N-methylaniline
CID 61416913
N-[(2-chlorophenyl)methyl]-6-(ethylaminomethyl)-N-methylpyrazin-2-amine
CID 66450287
4-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
CID 105073172
N-[(4-chlorophenyl)methyl]-N-methyl-4-(propylaminomethyl)pyridin-3-amine
CID 105073646
N-[(2-bromophenyl)methyl]-3-chloro-2-(ethylaminomethyl)-N-methylaniline
CID 63551727
5-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]aniline
CID 114848763
N-(3,5-dimethylphenyl)-4-(ethylaminomethyl)-N-methylpyridin-3-amine
CID 105073467
N-cyclobutyl-4-(ethylaminomethyl)-N-methylpyridin-3-amine
CID 105074525
5-chloro-2-(ethylaminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 114848350

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-(ethylaminomethyl)-N-methylpyridin-3-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-(ethylaminomethyl)-N-methylpyridin-3-amine (CID 105073707) is N-[(2-chlorophenyl)methyl]-4-(ethylaminomethyl)-N-methylpyridin-3-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-(ethylaminomethyl)-N-methylpyridin-3-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-(ethylaminomethyl)-N-methylpyridin-3-amine is CCNCc1ccncc1N(C)Cc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-(ethylaminomethyl)-N-methylpyridin-3-amine?
The InChIKey is SWIOXGSNYYOVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-3-18-10-13-8-9-19-11-16(13)20(2)12-14-6-4-5-7-15(14)17/h4-9,11,18H,3,10,12H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-4-(ethylaminomethyl)-N-methylpyridin-3-amine?
N-[(2-chlorophenyl)methyl]-4-(ethylaminomethyl)-N-methylpyridin-3-amine has a molecular weight of 289.81 g/mol, XLogP of 3.48, 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]-4-(ethylaminomethyl)-N-methylpyridin-3-amine is sourced from PubChem (CID 105073707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).