2-chloro-5-(3-ethylazetidin-1-yl)aniline

C11H15ClN2 — CID 79689421

IUPAC2-chloro-5-(3-ethylazetidin-1-yl)aniline
SMILESCCC1CN(c2ccc(Cl)c(N)c2)C1
InChIInChI=1S/C11H15ClN2/c1-2-8-6-14(7-8)9-3-4-10(12)11(13)5-9/h3-5,8H,2,6-7,13H2,1H3
InChIKeyZJHWHMSMYGZLCO-UHFFFAOYSA-N
MW210.71 g/mol
LogP2.77
Rot. Bonds2

About 2-chloro-5-(3-ethylazetidin-1-yl)aniline

2-chloro-5-(3-ethylazetidin-1-yl)aniline (PubChem CID 79689421) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 2-chloro-5-(3-ethylazetidin-1-yl)aniline.

Molecular Properties

Compound Name2-chloro-5-(3-ethylazetidin-1-yl)aniline
PubChem CID79689421
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name2-chloro-5-(3-ethylazetidin-1-yl)aniline
SMILESCCC1CN(c2ccc(Cl)c(N)c2)C1
InChIInChI=1S/C11H15ClN2/c1-2-8-6-14(7-8)9-3-4-10(12)11(13)5-9/h3-5,8H,2,6-7,13H2,1H3
InChIKeyZJHWHMSMYGZLCO-UHFFFAOYSA-N
XLogP2.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3-ethylazetidin-1-yl)aniline?
The IUPAC name of 2-chloro-5-(3-ethylazetidin-1-yl)aniline (CID 79689421) is 2-chloro-5-(3-ethylazetidin-1-yl)aniline.
What is the SMILES notation for 2-chloro-5-(3-ethylazetidin-1-yl)aniline?
The canonical SMILES for 2-chloro-5-(3-ethylazetidin-1-yl)aniline is CCC1CN(c2ccc(Cl)c(N)c2)C1.
What is the InChIKey of 2-chloro-5-(3-ethylazetidin-1-yl)aniline?
The InChIKey is ZJHWHMSMYGZLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c1-2-8-6-14(7-8)9-3-4-10(12)11(13)5-9/h3-5,8H,2,6-7,13H2,1H3.
What are the key properties of 2-chloro-5-(3-ethylazetidin-1-yl)aniline?
2-chloro-5-(3-ethylazetidin-1-yl)aniline has a molecular weight of 210.71 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3-ethylazetidin-1-yl)aniline is sourced from PubChem (CID 79689421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).