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

C8H11ClN2 — CID 55275523

IUPAC(1R)-1-(6-chloro-4-methyl-3-pyridinyl)ethanamine
SMILESCc1cc(Cl)ncc1[C@@H](C)N
InChIInChI=1S/C8H11ClN2/c1-5-3-8(9)11-4-7(5)6(2)10/h3-4,6H,10H2,1-2H3/t6-/m1/s1
InChIKeyPZZSNEDELNLCOL-ZCFIWIBFSA-N
MW170.64 g/mol
LogP2.06
Rot. Bonds1

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

(1R)-1-(6-chloro-4-methyl-3-pyridinyl)ethanamine (PubChem CID 55275523) has the molecular formula C8H11ClN2 and a molecular weight of 170.64 g/mol. Its IUPAC name is (1R)-1-(6-chloro-4-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(6-chloro-4-methyl-3-pyridinyl)ethanamine
PubChem CID55275523
Molecular FormulaC8H11ClN2
Molecular Weight170.64 g/mol
Exact Mass170.06
IUPAC Name(1R)-1-(6-chloro-4-methyl-3-pyridinyl)ethanamine
SMILESCc1cc(Cl)ncc1[C@@H](C)N
InChIInChI=1S/C8H11ClN2/c1-5-3-8(9)11-4-7(5)6(2)10/h3-4,6H,10H2,1-2H3/t6-/m1/s1
InChIKeyPZZSNEDELNLCOL-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(6-chloro-4-methyl-3-pyridinyl)propan-1-amine
CID 55273612
1-(6-chloro-4-methyl-3-pyridinyl)ethane-1,2-diamine
CID 55273502
2-amino-2-(6-chloro-4-methyl-3-pyridinyl)ethanol
CID 55272427
5-[(1S)-1-aminoethyl]-2-chloropyridine-4-carboxamide
CID 130727934
(1R)-1-(4-chloro-6-methyl-3-pyridinyl)ethanamine
CID 130645436
2-chloro-4,5-dimethylpyridine;ethane
CID 144586230
1-(2-chloro-5-methyl-3-pyridinyl)ethanamine
CID 55292913
(1S)-1-(4-methyl-6-pyrrolidin-1-yl-3-pyridinyl)ethanamine
CID 124501941
3-(6-chloro-4-methyl-3-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170823685
(1R)-1-[6-(azepan-1-yl)-4-methyl-3-pyridinyl]ethanamine
CID 124501966
1-(4-chloro-2-methylphenyl)ethanamine;ethane
CID 143031606
5-(1-aminoethyl)-4-methyl-N-propylpyridin-2-amine
CID 102545296

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(6-chloro-4-methyl-3-pyridinyl)ethanamine?
The IUPAC name of (1R)-1-(6-chloro-4-methyl-3-pyridinyl)ethanamine (CID 55275523) is (1R)-1-(6-chloro-4-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for (1R)-1-(6-chloro-4-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for (1R)-1-(6-chloro-4-methyl-3-pyridinyl)ethanamine is Cc1cc(Cl)ncc1[C@@H](C)N.
What is the InChIKey of (1R)-1-(6-chloro-4-methyl-3-pyridinyl)ethanamine?
The InChIKey is PZZSNEDELNLCOL-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H11ClN2/c1-5-3-8(9)11-4-7(5)6(2)10/h3-4,6H,10H2,1-2H3/t6-/m1/s1.
What are the key properties of (1R)-1-(6-chloro-4-methyl-3-pyridinyl)ethanamine?
(1R)-1-(6-chloro-4-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-(6-chloro-4-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 55275523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).