(1R)-1-(3,5-dichloro-4-pyridinyl)-N-methylethanamine

C8H10Cl2N2 — CID 130667466

IUPAC(1R)-1-(3,5-dichloro-4-pyridinyl)-N-methylethanamine
SMILESCN[C@H](C)c1c(Cl)cncc1Cl
InChIInChI=1S/C8H10Cl2N2/c1-5(11-2)8-6(9)3-12-4-7(8)10/h3-5,11H,1-2H3/t5-/m1/s1
InChIKeyOMBKTTNKILQCJQ-RXMQYKEDSA-N
MW205.09 g/mol
LogP2.67
Rot. Bonds2

About (1R)-1-(3,5-dichloro-4-pyridinyl)-N-methylethanamine

(1R)-1-(3,5-dichloro-4-pyridinyl)-N-methylethanamine (PubChem CID 130667466) has the molecular formula C8H10Cl2N2 and a molecular weight of 205.09 g/mol. Its IUPAC name is (1R)-1-(3,5-dichloro-4-pyridinyl)-N-methylethanamine.

Molecular Properties

Compound Name(1R)-1-(3,5-dichloro-4-pyridinyl)-N-methylethanamine
PubChem CID130667466
Molecular FormulaC8H10Cl2N2
Molecular Weight205.09 g/mol
Exact Mass204.02
IUPAC Name(1R)-1-(3,5-dichloro-4-pyridinyl)-N-methylethanamine
SMILESCN[C@H](C)c1c(Cl)cncc1Cl
InChIInChI=1S/C8H10Cl2N2/c1-5(11-2)8-6(9)3-12-4-7(8)10/h3-5,11H,1-2H3/t5-/m1/s1
InChIKeyOMBKTTNKILQCJQ-RXMQYKEDSA-N
XLogP2.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.09
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dichloro-4-[(1R)-1-methoxyethyl]pyridine
CID 167156090
3,5-dichloro-4-(1-methoxyethyl)pyridine
CID 145231321
1-(3,5-dichloro-4-pyridinyl)-2-(methylamino)ethanol
CID 84686359
2,4-bis(3,5-dichloro-4-pyridinyl)pentan-3-one
CID 154128737
3,5-dichloro-4-(1-phenylethyl)pyridine
CID 171475417
3,5-dichloro-N-propan-2-ylpyridin-4-amine
CID 23352265
3-chloro-N-methyl-5-propan-2-ylpyridin-4-amine
CID 166870496
(1R)-1-(3,5-dichloro-4-pyridinyl)-3-methylbutan-1-amine;hydrochloride
CID 171204661
1-(3-chloro-5-methyl-4-pyridinyl)-2-(methylamino)ethanol
CID 84669768
(2S)-2-(3,5-dichloro-4-pyridinyl)propane-1-sulfonic acid
CID 172759726
methyl (2S)-2-amino-2-(3,5-dichloro-4-pyridinyl)acetate;hydrochloride
CID 171204681
3,5-dichloro-4-(2,3-dimethylbutan-2-yl)pyridine
CID 176962230

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,5-dichloro-4-pyridinyl)-N-methylethanamine?
The IUPAC name of (1R)-1-(3,5-dichloro-4-pyridinyl)-N-methylethanamine (CID 130667466) is (1R)-1-(3,5-dichloro-4-pyridinyl)-N-methylethanamine.
What is the SMILES notation for (1R)-1-(3,5-dichloro-4-pyridinyl)-N-methylethanamine?
The canonical SMILES for (1R)-1-(3,5-dichloro-4-pyridinyl)-N-methylethanamine is CN[C@H](C)c1c(Cl)cncc1Cl.
What is the InChIKey of (1R)-1-(3,5-dichloro-4-pyridinyl)-N-methylethanamine?
The InChIKey is OMBKTTNKILQCJQ-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H10Cl2N2/c1-5(11-2)8-6(9)3-12-4-7(8)10/h3-5,11H,1-2H3/t5-/m1/s1.
What are the key properties of (1R)-1-(3,5-dichloro-4-pyridinyl)-N-methylethanamine?
(1R)-1-(3,5-dichloro-4-pyridinyl)-N-methylethanamine has a molecular weight of 205.09 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3,5-dichloro-4-pyridinyl)-N-methylethanamine is sourced from PubChem (CID 130667466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).