2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-4-amine

C12H18ClN3 — CID 102824002

IUPAC2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-4-amine
SMILESCCN1CCCC1CNc1ccnc(Cl)c1
InChIInChI=1S/C12H18ClN3/c1-2-16-7-3-4-11(16)9-15-10-5-6-14-12(13)8-10/h5-6,8,11H,2-4,7,9H2,1H3,(H,14,15)
InChIKeyMMBXDOJLHMUPTO-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.63
Rot. Bonds4

About 2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-4-amine

2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-4-amine (PubChem CID 102824002) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-4-amine
PubChem CID102824002
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-4-amine
SMILESCCN1CCCC1CNc1ccnc(Cl)c1
InChIInChI=1S/C12H18ClN3/c1-2-16-7-3-4-11(16)9-15-10-5-6-14-12(13)8-10/h5-6,8,11H,2-4,7,9H2,1H3,(H,14,15)
InChIKeyMMBXDOJLHMUPTO-UHFFFAOYSA-N
XLogP2.63
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-[(1-ethylpyrrolidin-2-yl)methylamino]benzonitrile
CID 62946348
1-[1-[(2-chloro-4-pyridinyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 81490906
5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-3-amine
CID 104531544
2-chloro-1-N-[(1-ethylpyrrolidin-2-yl)methyl]benzene-1,4-diamine
CID 43115512
1-[(1-ethylpyrrolidin-2-yl)methylamino]isoquinolin-7-ol
CID 106537369
6-chloro-2-[(1-ethylpyrrolidin-2-yl)methylamino]pyridine-3-carboxylic acid
CID 63376785
2-chloro-6-[(1-ethylpyrrolidin-2-yl)methylamino]pyridine-4-carbonitrile
CID 83074714
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyridin-2-amine
CID 61312935
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrimidin-4-amine
CID 135100956
2-N-[(1-ethylpiperidin-2-yl)methyl]pyrimidine-2,4-diamine
CID 131930538
2-chloro-N-[(5-methyloxolan-2-yl)methyl]pyridin-4-amine
CID 82835481
2-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-2,5-diamine
CID 61146431

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-4-amine?
The IUPAC name of 2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-4-amine (CID 102824002) is 2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-4-amine?
The canonical SMILES for 2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-4-amine is CCN1CCCC1CNc1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-4-amine?
The InChIKey is MMBXDOJLHMUPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-2-16-7-3-4-11(16)9-15-10-5-6-14-12(13)8-10/h5-6,8,11H,2-4,7,9H2,1H3,(H,14,15).
What are the key properties of 2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-4-amine?
2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-4-amine has a molecular weight of 239.75 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 102824002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).