3-chloro-N-[3-(2-chloroethoxy)propyl]pyridin-4-amine

C10H14Cl2N2O — CID 106306323

IUPAC3-chloro-N-[3-(2-chloroethoxy)propyl]pyridin-4-amine
SMILESClCCOCCCNc1ccncc1Cl
InChIInChI=1S/C10H14Cl2N2O/c11-3-7-15-6-1-4-14-10-2-5-13-8-9(10)12/h2,5,8H,1,3-4,6-7H2,(H,13,14)
InChIKeyIJFWXJOFUGAMLD-UHFFFAOYSA-N
MW249.14 g/mol
LogP2.79
Rot. Bonds7

About 3-chloro-N-[3-(2-chloroethoxy)propyl]pyridin-4-amine

3-chloro-N-[3-(2-chloroethoxy)propyl]pyridin-4-amine (PubChem CID 106306323) has the molecular formula C10H14Cl2N2O and a molecular weight of 249.14 g/mol. Its IUPAC name is 3-chloro-N-[3-(2-chloroethoxy)propyl]pyridin-4-amine.

Molecular Properties

Compound Name3-chloro-N-[3-(2-chloroethoxy)propyl]pyridin-4-amine
PubChem CID106306323
Molecular FormulaC10H14Cl2N2O
Molecular Weight249.14 g/mol
Exact Mass248.05
IUPAC Name3-chloro-N-[3-(2-chloroethoxy)propyl]pyridin-4-amine
SMILESClCCOCCCNc1ccncc1Cl
InChIInChI=1S/C10H14Cl2N2O/c11-3-7-15-6-1-4-14-10-2-5-13-8-9(10)12/h2,5,8H,1,3-4,6-7H2,(H,13,14)
InChIKeyIJFWXJOFUGAMLD-UHFFFAOYSA-N
XLogP2.79
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.14
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(6-chlorohexyl)pyridin-4-amine
CID 107846107
3-chloro-N-[2-(3-methylbutoxy)ethyl]pyridin-4-amine
CID 79839685
3-chloro-N-(4-methylpentyl)pyridin-4-amine
CID 79839670
3-chloro-N-hex-5-ynylpyridin-4-amine
CID 103757339
3-chloro-N-(3-phenylpropyl)pyridin-4-amine
CID 79770520
N-[3-(2-aminoethoxy)propyl]-3-bromopyridin-4-amine
CID 106308448
methyl 6-[(3-chloro-4-pyridinyl)amino]hexanoate
CID 79840643
3-chloro-N-(3-methylbutyl)pyridin-4-amine
CID 79769796
3-chloro-N-[(4-chlorocyclohexyl)methyl]pyridin-4-amine
CID 106125656
N'-(3-chloro-4-pyridinyl)-2-methylpentane-1,5-diamine
CID 106155235
3-chloro-N-(2-methylsulfinylethyl)pyridin-4-amine
CID 115680988
3-[3-(2-methoxyethoxy)propylamino]pyridine-4-carbonitrile
CID 113337626

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(2-chloroethoxy)propyl]pyridin-4-amine?
The IUPAC name of 3-chloro-N-[3-(2-chloroethoxy)propyl]pyridin-4-amine (CID 106306323) is 3-chloro-N-[3-(2-chloroethoxy)propyl]pyridin-4-amine.
What is the SMILES notation for 3-chloro-N-[3-(2-chloroethoxy)propyl]pyridin-4-amine?
The canonical SMILES for 3-chloro-N-[3-(2-chloroethoxy)propyl]pyridin-4-amine is ClCCOCCCNc1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[3-(2-chloroethoxy)propyl]pyridin-4-amine?
The InChIKey is IJFWXJOFUGAMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O/c11-3-7-15-6-1-4-14-10-2-5-13-8-9(10)12/h2,5,8H,1,3-4,6-7H2,(H,13,14).
What are the key properties of 3-chloro-N-[3-(2-chloroethoxy)propyl]pyridin-4-amine?
3-chloro-N-[3-(2-chloroethoxy)propyl]pyridin-4-amine has a molecular weight of 249.14 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(2-chloroethoxy)propyl]pyridin-4-amine is sourced from PubChem (CID 106306323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).