1-(5-chloro-6-pentan-2-yloxy-3-pyridinyl)-N-methylmethanamine

C12H19ClN2O — CID 102986084

IUPAC1-(5-chloro-6-pentan-2-yloxy-3-pyridinyl)-N-methylmethanamine
SMILESCCCC(C)Oc1ncc(CNC)cc1Cl
InChIInChI=1S/C12H19ClN2O/c1-4-5-9(2)16-12-11(13)6-10(7-14-3)8-15-12/h6,8-9,14H,4-5,7H2,1-3H3
InChIKeyFGHDQCLWZWRTRZ-UHFFFAOYSA-N
MW242.75 g/mol
LogP3.02
Rot. Bonds6

About 1-(5-chloro-6-pentan-2-yloxy-3-pyridinyl)-N-methylmethanamine

1-(5-chloro-6-pentan-2-yloxy-3-pyridinyl)-N-methylmethanamine (PubChem CID 102986084) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 1-(5-chloro-6-pentan-2-yloxy-3-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-chloro-6-pentan-2-yloxy-3-pyridinyl)-N-methylmethanamine
PubChem CID102986084
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name1-(5-chloro-6-pentan-2-yloxy-3-pyridinyl)-N-methylmethanamine
SMILESCCCC(C)Oc1ncc(CNC)cc1Cl
InChIInChI=1S/C12H19ClN2O/c1-4-5-9(2)16-12-11(13)6-10(7-14-3)8-15-12/h6,8-9,14H,4-5,7H2,1-3H3
InChIKeyFGHDQCLWZWRTRZ-UHFFFAOYSA-N
XLogP3.02
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-chloro-6-(4-methylpentoxy)-3-pyridinyl]-N-methylmethanamine
CID 62292187
1-(5-chloro-6-pentoxy-3-pyridinyl)-N-methylmethanamine
CID 62296845
1-[5-chloro-6-(2-ethylhexoxy)-3-pyridinyl]-N-methylmethanamine
CID 62291293
1-[5-chloro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-N-methylmethanamine
CID 62291646
(5-chloro-6-octan-2-yloxy-3-pyridinyl)methanol
CID 61255716
1-[5-chloro-6-(2,4,5-trichlorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 62296357
3-chloro-5-ethyl-2-propan-2-yloxypyridine
CID 90064685
N-[[5-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-1-amine
CID 66275529
5-chloro-4-pentan-2-yloxy-N-propylpyrimidin-2-amine
CID 102989311
1-[5-chloro-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]-N-methylmethanamine
CID 82956986
N-[[5-chloro-6-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62290699
1-[5-chloro-6-(2,5-dibromo-4-methoxyphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 79406807

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-6-pentan-2-yloxy-3-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(5-chloro-6-pentan-2-yloxy-3-pyridinyl)-N-methylmethanamine (CID 102986084) is 1-(5-chloro-6-pentan-2-yloxy-3-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-chloro-6-pentan-2-yloxy-3-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-chloro-6-pentan-2-yloxy-3-pyridinyl)-N-methylmethanamine is CCCC(C)Oc1ncc(CNC)cc1Cl.
What is the InChIKey of 1-(5-chloro-6-pentan-2-yloxy-3-pyridinyl)-N-methylmethanamine?
The InChIKey is FGHDQCLWZWRTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-4-5-9(2)16-12-11(13)6-10(7-14-3)8-15-12/h6,8-9,14H,4-5,7H2,1-3H3.
What are the key properties of 1-(5-chloro-6-pentan-2-yloxy-3-pyridinyl)-N-methylmethanamine?
1-(5-chloro-6-pentan-2-yloxy-3-pyridinyl)-N-methylmethanamine has a molecular weight of 242.75 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-6-pentan-2-yloxy-3-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 102986084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).