3-chloro-5-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine

C13H18Cl2N2O — CID 61435099

IUPAC3-chloro-5-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
SMILESCCN(CC1CCCO1)c1ncc(CCl)cc1Cl
InChIInChI=1S/C13H18Cl2N2O/c1-2-17(9-11-4-3-5-18-11)13-12(15)6-10(7-14)8-16-13/h6,8,11H,2-5,7,9H2,1H3
InChIKeyMKMSSWOQCJUJOQ-UHFFFAOYSA-N
MW289.21 g/mol
LogP3.48
Rot. Bonds5

About 3-chloro-5-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine

3-chloro-5-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine (PubChem CID 61435099) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is 3-chloro-5-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
PubChem CID61435099
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name3-chloro-5-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
SMILESCCN(CC1CCCO1)c1ncc(CCl)cc1Cl
InChIInChI=1S/C13H18Cl2N2O/c1-2-17(9-11-4-3-5-18-11)13-12(15)6-10(7-14)8-16-13/h6,8,11H,2-5,7,9H2,1H3
InChIKeyMKMSSWOQCJUJOQ-UHFFFAOYSA-N
XLogP3.48
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 114836813
2-chloro-N-ethyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 79075350
4-(chloromethyl)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)aniline
CID 62125297
5-chloro-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carboxylic acid
CID 114919337
5-bromo-N-ethyl-3-(methylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62282728
5-amino-6-[ethyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 81438909
5-bromo-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 62000205
3-chloro-5-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N-ethylpyridin-2-amine
CID 63941049
3-chloro-N-methyl-5-(methylaminomethyl)-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 62281998
5-bromo-N-ethyl-3-(ethylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62282729
3-chloro-5-(chloromethyl)-2-(oxan-2-ylmethoxy)pyridine
CID 61258069
5-(bromomethyl)-N,3-dimethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 107081226

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-5-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine (CID 61435099) is 3-chloro-5-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-5-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-5-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine is CCN(CC1CCCO1)c1ncc(CCl)cc1Cl.
What is the InChIKey of 3-chloro-5-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine?
The InChIKey is MKMSSWOQCJUJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c1-2-17(9-11-4-3-5-18-11)13-12(15)6-10(7-14)8-16-13/h6,8,11H,2-5,7,9H2,1H3.
What are the key properties of 3-chloro-5-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine?
3-chloro-5-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine has a molecular weight of 289.21 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 61435099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).