[5-chloro-6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methanamine

C12H19ClN2O3 — CID 103405668

IUPAC[5-chloro-6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methanamine
SMILESCOCCOCCCOc1ncc(CN)cc1Cl
InChIInChI=1S/C12H19ClN2O3/c1-16-5-6-17-3-2-4-18-12-11(13)7-10(8-14)9-15-12/h7,9H,2-6,8,14H2,1H3
InChIKeyILPSQMHYJOWPRQ-UHFFFAOYSA-N
MW274.75 g/mol
LogP1.63
Rot. Bonds9

About [5-chloro-6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methanamine

[5-chloro-6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methanamine (PubChem CID 103405668) has the molecular formula C12H19ClN2O3 and a molecular weight of 274.75 g/mol. Its IUPAC name is [5-chloro-6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-chloro-6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methanamine
PubChem CID103405668
Molecular FormulaC12H19ClN2O3
Molecular Weight274.75 g/mol
Exact Mass274.11
IUPAC Name[5-chloro-6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methanamine
SMILESCOCCOCCCOc1ncc(CN)cc1Cl
InChIInChI=1S/C12H19ClN2O3/c1-16-5-6-17-3-2-4-18-12-11(13)7-10(8-14)9-15-12/h7,9H,2-6,8,14H2,1H3
InChIKeyILPSQMHYJOWPRQ-UHFFFAOYSA-N
XLogP1.63
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-chloro-6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]propan-1-amine
CID 103405941
N-[[5-chloro-6-[2-(3-methoxypropoxy)ethoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 103180798
2-(2-butoxyethoxy)-3-chloro-5-(chloromethyl)pyridine
CID 61267855
[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]phenyl]methanamine
CID 103401471
5-bromo-2-[3-(2-methoxyethoxy)propoxy]pyridin-3-amine
CID 103400992
N-[[5-chloro-6-(2-methoxyethoxy)-3-pyridinyl]methyl]ethanamine
CID 62290358
[3,5-dichloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]methanamine
CID 103409014
[3,5-dibromo-4-[2-(3-methoxypropoxy)ethoxy]phenyl]methanamine
CID 107741510
[3-chloro-6-[3-(2-methoxyethoxy)propoxy]-2-pyridinyl]methanamine
CID 103405839
N-[[6-(2-butoxyethoxy)-5-chloro-3-pyridinyl]methyl]cyclopropanamine
CID 62291810
3,5-dichloro-6-[3-(2-methoxyethoxy)propoxy]-N-propylpyridin-2-amine
CID 103408318
3-chloro-5-(chloromethyl)-2-pentoxypyridine
CID 61267494

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methanamine?
The IUPAC name of [5-chloro-6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methanamine (CID 103405668) is [5-chloro-6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methanamine.
What is the SMILES notation for [5-chloro-6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methanamine?
The canonical SMILES for [5-chloro-6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methanamine is COCCOCCCOc1ncc(CN)cc1Cl.
What is the InChIKey of [5-chloro-6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methanamine?
The InChIKey is ILPSQMHYJOWPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O3/c1-16-5-6-17-3-2-4-18-12-11(13)7-10(8-14)9-15-12/h7,9H,2-6,8,14H2,1H3.
What are the key properties of [5-chloro-6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methanamine?
[5-chloro-6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methanamine has a molecular weight of 274.75 g/mol, XLogP of 1.63, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methanamine is sourced from PubChem (CID 103405668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).