3-chloro-5-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine

C14H21Cl2N3 — CID 79319665

IUPAC3-chloro-5-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine
SMILESCCN1CCCC1CN(C)c1ncc(CCl)cc1Cl
InChIInChI=1S/C14H21Cl2N3/c1-3-19-6-4-5-12(19)10-18(2)14-13(16)7-11(8-15)9-17-14/h7,9,12H,3-6,8,10H2,1-2H3
InChIKeyZVUZRPRXKQJNMK-UHFFFAOYSA-N
MW302.25 g/mol
LogP3.39
Rot. Bonds5

About 3-chloro-5-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine

3-chloro-5-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine (PubChem CID 79319665) has the molecular formula C14H21Cl2N3 and a molecular weight of 302.25 g/mol. Its IUPAC name is 3-chloro-5-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine
PubChem CID79319665
Molecular FormulaC14H21Cl2N3
Molecular Weight302.25 g/mol
Exact Mass301.11
IUPAC Name3-chloro-5-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine
SMILESCCN1CCCC1CN(C)c1ncc(CCl)cc1Cl
InChIInChI=1S/C14H21Cl2N3/c1-3-19-6-4-5-12(19)10-18(2)14-13(16)7-11(8-15)9-17-14/h7,9,12H,3-6,8,10H2,1-2H3
InChIKeyZVUZRPRXKQJNMK-UHFFFAOYSA-N
XLogP3.39
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 53.39
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-chloro-5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine
CID 79311002
5-bromo-3-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine
CID 79318610
3-chloro-5-(chloromethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine
CID 63236339
4-(aminomethyl)-5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine
CID 114926731
6-chloro-2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methylpyridine-2,4-diamine
CID 104924609
N-[(6-chloro-3-pyridinyl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
CID 79314477
4-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylaniline
CID 79319977
5-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carboxylic acid
CID 114919785
6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrazin-2-amine
CID 79315343
N-[(4,6-dichloro-3-pyridinyl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
CID 116519037
4-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluoro-N-methylaniline
CID 79318756
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-5-(chloromethyl)-N-methylpyridin-2-amine
CID 63681809

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine?
The IUPAC name of 3-chloro-5-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine (CID 79319665) is 3-chloro-5-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 3-chloro-5-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 3-chloro-5-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine is CCN1CCCC1CN(C)c1ncc(CCl)cc1Cl.
What is the InChIKey of 3-chloro-5-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine?
The InChIKey is ZVUZRPRXKQJNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2N3/c1-3-19-6-4-5-12(19)10-18(2)14-13(16)7-11(8-15)9-17-14/h7,9,12H,3-6,8,10H2,1-2H3.
What are the key properties of 3-chloro-5-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine?
3-chloro-5-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine has a molecular weight of 302.25 g/mol, XLogP of 3.39, 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-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 79319665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).