N-[(4-chlorophenyl)methyl]-6-(ethylaminomethyl)-N-methylpyridin-2-amine

C16H20ClN3 — CID 62289425

IUPACN-[(4-chlorophenyl)methyl]-6-(ethylaminomethyl)-N-methylpyridin-2-amine
SMILESCCNCc1cccc(N(C)Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H20ClN3/c1-3-18-11-15-5-4-6-16(19-15)20(2)12-13-7-9-14(17)10-8-13/h4-10,18H,3,11-12H2,1-2H3
InChIKeyXTPLLTXAXVASNG-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.48
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-6-(ethylaminomethyl)-N-methylpyridin-2-amine

N-[(4-chlorophenyl)methyl]-6-(ethylaminomethyl)-N-methylpyridin-2-amine (PubChem CID 62289425) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-6-(ethylaminomethyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-6-(ethylaminomethyl)-N-methylpyridin-2-amine
PubChem CID62289425
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC NameN-[(4-chlorophenyl)methyl]-6-(ethylaminomethyl)-N-methylpyridin-2-amine
SMILESCCNCc1cccc(N(C)Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H20ClN3/c1-3-18-11-15-5-4-6-16(19-15)20(2)12-13-7-9-14(17)10-8-13/h4-10,18H,3,11-12H2,1-2H3
InChIKeyXTPLLTXAXVASNG-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

6-(ethylaminomethyl)-N-methyl-N-propylpyridin-2-amine
CID 62279844
6-N-[(4-chlorophenyl)methyl]-6-N-methyl-2-N-propylpyridine-2,6-diamine
CID 80794389
6-(ethylaminomethyl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine
CID 55059034
6-[(4-chlorophenyl)methyl-methylamino]pyridine-2-carbothioamide
CID 64589054
N-methyl-6-[(2-methylpropylamino)methyl]-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 62284159
N-[[6-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methyl]ethanamine
CID 106905328
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]ethanamine
CID 11566567
N-[(4-fluorophenyl)methyl]-N-methyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62287465
N-[(6-chloro-2-pyridinyl)methyl]ethanamine
CID 119090911
[6-[(4-fluorophenyl)methyl-methylamino]-2-pyridinyl]methanol
CID 62253214
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-6-(propylaminomethyl)pyridin-2-amine
CID 62282523
6-(ethylaminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrazin-2-amine
CID 66449264

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-6-(ethylaminomethyl)-N-methylpyridin-2-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-6-(ethylaminomethyl)-N-methylpyridin-2-amine (CID 62289425) is N-[(4-chlorophenyl)methyl]-6-(ethylaminomethyl)-N-methylpyridin-2-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-6-(ethylaminomethyl)-N-methylpyridin-2-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-6-(ethylaminomethyl)-N-methylpyridin-2-amine is CCNCc1cccc(N(C)Cc2ccc(Cl)cc2)n1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-6-(ethylaminomethyl)-N-methylpyridin-2-amine?
The InChIKey is XTPLLTXAXVASNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-3-18-11-15-5-4-6-16(19-15)20(2)12-13-7-9-14(17)10-8-13/h4-10,18H,3,11-12H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-6-(ethylaminomethyl)-N-methylpyridin-2-amine?
N-[(4-chlorophenyl)methyl]-6-(ethylaminomethyl)-N-methylpyridin-2-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-[(4-chlorophenyl)methyl]-6-(ethylaminomethyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 62289425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).