2-chloro-4-(2-pyrrolidin-1-ylethoxy)aniline

C12H17ClN2O — CID 107910973

IUPAC2-chloro-4-(2-pyrrolidin-1-ylethoxy)aniline
SMILESNc1ccc(OCCN2CCCC2)cc1Cl
InChIInChI=1S/C12H17ClN2O/c13-11-9-10(3-4-12(11)14)16-8-7-15-5-1-2-6-15/h3-4,9H,1-2,5-8,14H2
InChIKeyKEHYFMAPUPZQTE-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.40
Rot. Bonds4

About 2-chloro-4-(2-pyrrolidin-1-ylethoxy)aniline

2-chloro-4-(2-pyrrolidin-1-ylethoxy)aniline (PubChem CID 107910973) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-chloro-4-(2-pyrrolidin-1-ylethoxy)aniline.

Molecular Properties

Compound Name2-chloro-4-(2-pyrrolidin-1-ylethoxy)aniline
PubChem CID107910973
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name2-chloro-4-(2-pyrrolidin-1-ylethoxy)aniline
SMILESNc1ccc(OCCN2CCCC2)cc1Cl
InChIInChI=1S/C12H17ClN2O/c13-11-9-10(3-4-12(11)14)16-8-7-15-5-1-2-6-15/h3-4,9H,1-2,5-8,14H2
InChIKeyKEHYFMAPUPZQTE-UHFFFAOYSA-N
XLogP2.40
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.40
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

1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyrrolidine
CID 82727267
1-[2-[2-(3,4-dichlorophenoxy)ethoxy]ethyl]pyrrolidine
CID 2581947
4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]benzene-1,2-diamine
CID 11473477
2-chloro-N'-hydroxy-4-(2-piperidin-1-ylethoxy)benzenecarboximidamide
CID 76981662
2-chloro-4-(2-pyrrolidin-1-ylethoxy)pyridine
CID 63778456
2-methyl-4-(3-piperidin-1-ylpropoxy)aniline
CID 39351364
2-chloro-4-(2-pyrrolidin-1-ylethylsulfanyl)aniline
CID 79150235
1-[2-[4-[(2,6-dichlorophenyl)methoxy]phenoxy]ethyl]pyrrolidine
CID 18678156
[2-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-phenylmethanol
CID 23553243
1-[2-(3,4-dimethylphenoxy)ethyl]azepane
CID 82086608
3,5-dichloro-4-(2-piperidin-1-ylethoxy)aniline
CID 106891018
4-[2-(4-bromophenoxy)ethoxy]-2-chloroaniline
CID 62112283

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-pyrrolidin-1-ylethoxy)aniline?
The IUPAC name of 2-chloro-4-(2-pyrrolidin-1-ylethoxy)aniline (CID 107910973) is 2-chloro-4-(2-pyrrolidin-1-ylethoxy)aniline.
What is the SMILES notation for 2-chloro-4-(2-pyrrolidin-1-ylethoxy)aniline?
The canonical SMILES for 2-chloro-4-(2-pyrrolidin-1-ylethoxy)aniline is Nc1ccc(OCCN2CCCC2)cc1Cl.
What is the InChIKey of 2-chloro-4-(2-pyrrolidin-1-ylethoxy)aniline?
The InChIKey is KEHYFMAPUPZQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c13-11-9-10(3-4-12(11)14)16-8-7-15-5-1-2-6-15/h3-4,9H,1-2,5-8,14H2.
What are the key properties of 2-chloro-4-(2-pyrrolidin-1-ylethoxy)aniline?
2-chloro-4-(2-pyrrolidin-1-ylethoxy)aniline has a molecular weight of 240.73 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-pyrrolidin-1-ylethoxy)aniline is sourced from PubChem (CID 107910973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).