(3-chloro-6-propan-2-yloxy-2-pyridinyl)methanamine

C9H13ClN2O — CID 62290164

IUPAC(3-chloro-6-propan-2-yloxy-2-pyridinyl)methanamine
SMILESCC(C)Oc1ccc(Cl)c(CN)n1
InChIInChI=1S/C9H13ClN2O/c1-6(2)13-9-4-3-7(10)8(5-11)12-9/h3-4,6H,5,11H2,1-2H3
InChIKeyPHKLRCKIWLGHTJ-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.98
Rot. Bonds3

About (3-chloro-6-propan-2-yloxy-2-pyridinyl)methanamine

(3-chloro-6-propan-2-yloxy-2-pyridinyl)methanamine (PubChem CID 62290164) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is (3-chloro-6-propan-2-yloxy-2-pyridinyl)methanamine.

Molecular Properties

Compound Name(3-chloro-6-propan-2-yloxy-2-pyridinyl)methanamine
PubChem CID62290164
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name(3-chloro-6-propan-2-yloxy-2-pyridinyl)methanamine
SMILESCC(C)Oc1ccc(Cl)c(CN)n1
InChIInChI=1S/C9H13ClN2O/c1-6(2)13-9-4-3-7(10)8(5-11)12-9/h3-4,6H,5,11H2,1-2H3
InChIKeyPHKLRCKIWLGHTJ-UHFFFAOYSA-N
XLogP1.98
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Chloro-6-ethoxypyridine
CID 98563
[(6-Methoxypyridin-2-yl)methyl](methyl)amine
CID 58863294
3-[[(2S)-azetidin-2-yl]methoxy]-6-chloro-2-methylpyridine
CID 44327719
2-tert-Butoxy-6-chloropyridine
CID 11984350
Pyridine, 2-ethoxy-6-methyl-
CID 4738465
6-Methoxy-alpha-methyl-2-pyridinemethanamine
CID 59478634
(6-Methoxypyridin-2-yl)methanamine
CID 13882973
[6-(2,2,2-Trifluoroethoxy)pyridin-2-yl]methanamine
CID 62290450
(6-(Tert-butoxy)pyridin-2-yl)methanamine
CID 62290744
2-Chloro-6-isopropoxypyridine
CID 13309095
2-Methyl-6-(piperidin-4-yloxy)pyridine dihydrochloride
CID 22499431
1-(6-Ethoxypyridin-2-yl)methanamine
CID 62290283

Frequently Asked Questions

What is the IUPAC name of (3-chloro-6-propan-2-yloxy-2-pyridinyl)methanamine?
The IUPAC name of (3-chloro-6-propan-2-yloxy-2-pyridinyl)methanamine (CID 62290164) is (3-chloro-6-propan-2-yloxy-2-pyridinyl)methanamine.
What is the SMILES notation for (3-chloro-6-propan-2-yloxy-2-pyridinyl)methanamine?
The canonical SMILES for (3-chloro-6-propan-2-yloxy-2-pyridinyl)methanamine is CC(C)Oc1ccc(Cl)c(CN)n1.
What is the InChIKey of (3-chloro-6-propan-2-yloxy-2-pyridinyl)methanamine?
The InChIKey is PHKLRCKIWLGHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-6(2)13-9-4-3-7(10)8(5-11)12-9/h3-4,6H,5,11H2,1-2H3.
What are the key properties of (3-chloro-6-propan-2-yloxy-2-pyridinyl)methanamine?
(3-chloro-6-propan-2-yloxy-2-pyridinyl)methanamine has a molecular weight of 200.67 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-6-propan-2-yloxy-2-pyridinyl)methanamine is sourced from PubChem (CID 62290164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).