6-[(1R)-1-aminoethyl]-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-3-amine

C16H20ClN3 — CID 83122536

IUPAC6-[(1R)-1-aminoethyl]-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-3-amine
SMILESCC(c1ccccc1Cl)N(C)c1ccc([C@@H](C)N)nc1
InChIInChI=1S/C16H20ClN3/c1-11(18)16-9-8-13(10-19-16)20(3)12(2)14-6-4-5-7-15(14)17/h4-12H,18H2,1-3H3/t11-,12?/m1/s1
InChIKeyBOVOIINLYILMAS-JHJMLUEUSA-N
MW289.81 g/mol
LogP3.95
Rot. Bonds4

About 6-[(1R)-1-aminoethyl]-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-3-amine

6-[(1R)-1-aminoethyl]-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-3-amine (PubChem CID 83122536) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 6-[(1R)-1-aminoethyl]-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-3-amine.

Molecular Properties

Compound Name6-[(1R)-1-aminoethyl]-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-3-amine
PubChem CID83122536
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name6-[(1R)-1-aminoethyl]-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-3-amine
SMILESCC(c1ccccc1Cl)N(C)c1ccc([C@@H](C)N)nc1
InChIInChI=1S/C16H20ClN3/c1-11(18)16-9-8-13(10-19-16)20(3)12(2)14-6-4-5-7-15(14)17/h4-12H,18H2,1-3H3/t11-,12?/m1/s1
InChIKeyBOVOIINLYILMAS-JHJMLUEUSA-N
XLogP3.95
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(1S)-1-aminoethyl]-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-3-amine
CID 83122869
4-[(1R)-1-aminoethyl]-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline
CID 78935522
4-[(1S)-1-aminoethyl]-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline
CID 63369336
5-[1-(2-chlorophenyl)ethyl-methylamino]pyridine-2-carbothioamide
CID 115488566
6-[(1R)-1-aminoethyl]-N,N-dimethylpyridin-3-amine
CID 83122052
6-[(1S)-1-aminoethyl]-N-methyl-N-phenylpyridin-3-amine
CID 83121870
6-(1-aminoethyl)-N-(1-cyclopropylethyl)-N-methylpyridin-3-amine
CID 83122563
5-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-3-amine
CID 104531747
6-(1-aminoethyl)-N-cyclopropyl-N-methylpyridin-3-amine
CID 83122472
6-[(1R)-1-aminoethyl]-N-(3-fluorophenyl)-N-methylpyridin-3-amine
CID 83122861
6-[(1S)-1-aminoethyl]-N-methyl-N-(2-methylbutyl)pyridin-3-amine
CID 83123142
6-[(1R)-1-aminoethyl]-N-ethyl-N-phenylpyridin-3-amine
CID 83122129

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-aminoethyl]-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-3-amine?
The IUPAC name of 6-[(1R)-1-aminoethyl]-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-3-amine (CID 83122536) is 6-[(1R)-1-aminoethyl]-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-3-amine.
What is the SMILES notation for 6-[(1R)-1-aminoethyl]-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-3-amine?
The canonical SMILES for 6-[(1R)-1-aminoethyl]-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-3-amine is CC(c1ccccc1Cl)N(C)c1ccc([C@@H](C)N)nc1.
What is the InChIKey of 6-[(1R)-1-aminoethyl]-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-3-amine?
The InChIKey is BOVOIINLYILMAS-JHJMLUEUSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-11(18)16-9-8-13(10-19-16)20(3)12(2)14-6-4-5-7-15(14)17/h4-12H,18H2,1-3H3/t11-,12?/m1/s1.
What are the key properties of 6-[(1R)-1-aminoethyl]-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-3-amine?
6-[(1R)-1-aminoethyl]-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-3-amine has a molecular weight of 289.81 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-aminoethyl]-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-3-amine is sourced from PubChem (CID 83122536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).