(1R)-1-(4-chloro-6-methyl-3-pyridinyl)ethanamine

C8H11ClN2 — CID 130645436

IUPAC(1R)-1-(4-chloro-6-methyl-3-pyridinyl)ethanamine
SMILESCc1cc(Cl)c([C@@H](C)N)cn1
InChIInChI=1S/C8H11ClN2/c1-5-3-8(9)7(4-11-5)6(2)10/h3-4,6H,10H2,1-2H3/t6-/m1/s1
InChIKeyUHYCLZYNDXKVJC-ZCFIWIBFSA-N
MW170.64 g/mol
LogP2.06
Rot. Bonds1

About (1R)-1-(4-chloro-6-methyl-3-pyridinyl)ethanamine

(1R)-1-(4-chloro-6-methyl-3-pyridinyl)ethanamine (PubChem CID 130645436) has the molecular formula C8H11ClN2 and a molecular weight of 170.64 g/mol. Its IUPAC name is (1R)-1-(4-chloro-6-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-chloro-6-methyl-3-pyridinyl)ethanamine
PubChem CID130645436
Molecular FormulaC8H11ClN2
Molecular Weight170.64 g/mol
Exact Mass170.06
IUPAC Name(1R)-1-(4-chloro-6-methyl-3-pyridinyl)ethanamine
SMILESCc1cc(Cl)c([C@@H](C)N)cn1
InChIInChI=1S/C8H11ClN2/c1-5-3-8(9)7(4-11-5)6(2)10/h3-4,6H,10H2,1-2H3/t6-/m1/s1
InChIKeyUHYCLZYNDXKVJC-ZCFIWIBFSA-N
XLogP2.06
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chloro-6-methyl-3-pyridinyl)ethanamine?
The IUPAC name of (1R)-1-(4-chloro-6-methyl-3-pyridinyl)ethanamine (CID 130645436) is (1R)-1-(4-chloro-6-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for (1R)-1-(4-chloro-6-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for (1R)-1-(4-chloro-6-methyl-3-pyridinyl)ethanamine is Cc1cc(Cl)c([C@@H](C)N)cn1.
What is the InChIKey of (1R)-1-(4-chloro-6-methyl-3-pyridinyl)ethanamine?
The InChIKey is UHYCLZYNDXKVJC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H11ClN2/c1-5-3-8(9)7(4-11-5)6(2)10/h3-4,6H,10H2,1-2H3/t6-/m1/s1.
What are the key properties of (1R)-1-(4-chloro-6-methyl-3-pyridinyl)ethanamine?
(1R)-1-(4-chloro-6-methyl-3-pyridinyl)ethanamine has a molecular weight of 170.64 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chloro-6-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 130645436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).