3-chloro-5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridin-2-amine

C15H26ClN3O2 — CID 62295520

IUPAC3-chloro-5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridin-2-amine
SMILESCCNCc1cnc(N(CCCOC)CCOC)c(Cl)c1
InChIInChI=1S/C15H26ClN3O2/c1-4-17-11-13-10-14(16)15(18-12-13)19(7-9-21-3)6-5-8-20-2/h10,12,17H,4-9,11H2,1-3H3
InChIKeyWNIJTIJZVBUMPK-UHFFFAOYSA-N
MW315.85 g/mol
LogP2.33
Rot. Bonds11

About 3-chloro-5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridin-2-amine

3-chloro-5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridin-2-amine (PubChem CID 62295520) has the molecular formula C15H26ClN3O2 and a molecular weight of 315.85 g/mol. Its IUPAC name is 3-chloro-5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridin-2-amine
PubChem CID62295520
Molecular FormulaC15H26ClN3O2
Molecular Weight315.85 g/mol
Exact Mass315.17
IUPAC Name3-chloro-5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridin-2-amine
SMILESCCNCc1cnc(N(CCCOC)CCOC)c(Cl)c1
InChIInChI=1S/C15H26ClN3O2/c1-4-17-11-13-10-14(16)15(18-12-13)19(7-9-21-3)6-5-8-20-2/h10,12,17H,4-9,11H2,1-3H3
InChIKeyWNIJTIJZVBUMPK-UHFFFAOYSA-N
XLogP2.33
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.85
LogP ≤ 52.33
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

3-chloro-N-ethyl-5-(ethylaminomethyl)-N-(2-methoxyethyl)pyridin-2-amine
CID 62295498
3-chloro-5-(ethylaminomethyl)-N,N-dipropylpyridin-2-amine
CID 62284271
3-chloro-N-ethyl-5-(ethylaminomethyl)-N-propylpyridin-2-amine
CID 55054577
N-[[5-chloro-6-(2-methoxyethoxy)-3-pyridinyl]methyl]ethanamine
CID 62290358
3-[[3-chloro-5-(ethylaminomethyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 62298233
3-chloro-N-ethyl-5-(ethylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine
CID 62279192
N'-[3-chloro-5-(ethylaminomethyl)-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63701057
3-chloro-N-ethyl-5-(ethylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 62281431
5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyrazin-2-amine
CID 107379629
5-(ethylaminomethyl)-N,N-bis(2-methoxyethyl)pyridin-2-amine
CID 62287077
N-butan-2-yl-5-(ethylaminomethyl)-N-(2-methoxyethyl)-3-methylpyridin-2-amine
CID 80630535
3-chloro-5-(ethylaminomethyl)-N-(4-methoxyphenyl)-N-methylpyridin-2-amine
CID 62293024

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridin-2-amine?
The IUPAC name of 3-chloro-5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridin-2-amine (CID 62295520) is 3-chloro-5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridin-2-amine is CCNCc1cnc(N(CCCOC)CCOC)c(Cl)c1.
What is the InChIKey of 3-chloro-5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridin-2-amine?
The InChIKey is WNIJTIJZVBUMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3O2/c1-4-17-11-13-10-14(16)15(18-12-13)19(7-9-21-3)6-5-8-20-2/h10,12,17H,4-9,11H2,1-3H3.
What are the key properties of 3-chloro-5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridin-2-amine?
3-chloro-5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridin-2-amine has a molecular weight of 315.85 g/mol, XLogP of 2.33, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridin-2-amine is sourced from PubChem (CID 62295520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).