1-(5-chloro-6-pentoxy-3-pyridinyl)-N-methylmethanamine

C12H19ClN2O — CID 62296845

IUPAC1-(5-chloro-6-pentoxy-3-pyridinyl)-N-methylmethanamine
SMILESCCCCCOc1ncc(CNC)cc1Cl
InChIInChI=1S/C12H19ClN2O/c1-3-4-5-6-16-12-11(13)7-10(8-14-2)9-15-12/h7,9,14H,3-6,8H2,1-2H3
InChIKeyBXYISIGGZLKTAM-UHFFFAOYSA-N
MW242.75 g/mol
LogP3.02
Rot. Bonds7

About 1-(5-chloro-6-pentoxy-3-pyridinyl)-N-methylmethanamine

1-(5-chloro-6-pentoxy-3-pyridinyl)-N-methylmethanamine (PubChem CID 62296845) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 1-(5-chloro-6-pentoxy-3-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-chloro-6-pentoxy-3-pyridinyl)-N-methylmethanamine
PubChem CID62296845
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name1-(5-chloro-6-pentoxy-3-pyridinyl)-N-methylmethanamine
SMILESCCCCCOc1ncc(CNC)cc1Cl
InChIInChI=1S/C12H19ClN2O/c1-3-4-5-6-16-12-11(13)7-10(8-14-2)9-15-12/h7,9,14H,3-6,8H2,1-2H3
InChIKeyBXYISIGGZLKTAM-UHFFFAOYSA-N
XLogP3.02
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[5-chloro-6-(4-methylpentoxy)-3-pyridinyl]-N-methylmethanamine
CID 62292187
3-chloro-5-(chloromethyl)-2-pentoxypyridine
CID 61267494
N-[(5-chloro-6-heptoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 63487951
1-[5-chloro-6-(2-ethylhexoxy)-3-pyridinyl]-N-methylmethanamine
CID 62291293
1-[5-chloro-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]-N-methylmethanamine
CID 82956986
1-[5-chloro-6-(2,4,5-trichlorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 62296357
1-[5-chloro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-N-methylmethanamine
CID 62291646
1-(5-chloro-6-pentan-2-yloxy-3-pyridinyl)-N-methylmethanamine
CID 102986084
N-[2-[[3-chloro-5-(methylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine
CID 102740579
N-[[6-(2-butoxyethoxy)-5-chloro-3-pyridinyl]methyl]cyclopropanamine
CID 62291810
N-butyl-3-chloro-N-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 62285991
N-[[5-chloro-6-(2-methoxyethoxy)-3-pyridinyl]methyl]ethanamine
CID 62290358

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-6-pentoxy-3-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(5-chloro-6-pentoxy-3-pyridinyl)-N-methylmethanamine (CID 62296845) is 1-(5-chloro-6-pentoxy-3-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-chloro-6-pentoxy-3-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-chloro-6-pentoxy-3-pyridinyl)-N-methylmethanamine is CCCCCOc1ncc(CNC)cc1Cl.
What is the InChIKey of 1-(5-chloro-6-pentoxy-3-pyridinyl)-N-methylmethanamine?
The InChIKey is BXYISIGGZLKTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-3-4-5-6-16-12-11(13)7-10(8-14-2)9-15-12/h7,9,14H,3-6,8H2,1-2H3.
What are the key properties of 1-(5-chloro-6-pentoxy-3-pyridinyl)-N-methylmethanamine?
1-(5-chloro-6-pentoxy-3-pyridinyl)-N-methylmethanamine has a molecular weight of 242.75 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-6-pentoxy-3-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 62296845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).