2-chloro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]aniline

C13H19ClN2O — CID 104835031

IUPAC2-chloro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]aniline
SMILESCN1CCCC1CCOc1cccc(Cl)c1N
InChIInChI=1S/C13H19ClN2O/c1-16-8-3-4-10(16)7-9-17-12-6-2-5-11(14)13(12)15/h2,5-6,10H,3-4,7-9,15H2,1H3
InChIKeyMPRBCNAYQHHOTF-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.79
Rot. Bonds4

About 2-chloro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]aniline

2-chloro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]aniline (PubChem CID 104835031) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-chloro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]aniline.

Molecular Properties

Compound Name2-chloro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]aniline
PubChem CID104835031
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-chloro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]aniline
SMILESCN1CCCC1CCOc1cccc(Cl)c1N
InChIInChI=1S/C13H19ClN2O/c1-16-8-3-4-10(16)7-9-17-12-6-2-5-11(14)13(12)15/h2,5-6,10H,3-4,7-9,15H2,1H3
InChIKeyMPRBCNAYQHHOTF-UHFFFAOYSA-N
XLogP2.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]aniline
CID 61102885
ethyl 2-amino-3-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzoate
CID 115547213
1-methyl-2-[2-(2-methylphenoxy)ethyl]pyrrolidine
CID 23339324
8-[2-(1-methylpyrrolidin-2-yl)ethoxy]quinolin-2-amine
CID 22254585
(2R)-2-[2-[2-(4-chlorophenoxy)phenoxy]ethyl]-1-methylpyrrolidine
CID 124942694
[2-bromo-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine
CID 114879953
1-[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine
CID 107913183
1-methyl-2-[2-(2-methylsulfanylphenoxy)ethyl]pyrrolidine
CID 23339554
2-methyl-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy]pyridine
CID 70084803
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
4-bromo-3-[2-(1-methylpiperidin-2-yl)ethoxy]aniline
CID 107911011
N-[[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 107911041

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]aniline?
The IUPAC name of 2-chloro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]aniline (CID 104835031) is 2-chloro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]aniline.
What is the SMILES notation for 2-chloro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]aniline?
The canonical SMILES for 2-chloro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]aniline is CN1CCCC1CCOc1cccc(Cl)c1N.
What is the InChIKey of 2-chloro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]aniline?
The InChIKey is MPRBCNAYQHHOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-16-8-3-4-10(16)7-9-17-12-6-2-5-11(14)13(12)15/h2,5-6,10H,3-4,7-9,15H2,1H3.
What are the key properties of 2-chloro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]aniline?
2-chloro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]aniline has a molecular weight of 254.76 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]aniline is sourced from PubChem (CID 104835031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).