3-chloro-5-(pyrrolidin-2-ylmethyl)aniline

C11H15ClN2 — CID 84678128

IUPAC3-chloro-5-(pyrrolidin-2-ylmethyl)aniline
SMILESNc1cc(Cl)cc(CC2CCCN2)c1
InChIInChI=1S/C11H15ClN2/c12-9-4-8(5-10(13)7-9)6-11-2-1-3-14-11/h4-5,7,11,14H,1-3,6,13H2
InChIKeyVZJUJLOBQBYEDZ-UHFFFAOYSA-N
MW210.71 g/mol
LogP2.22
Rot. Bonds2

About 3-chloro-5-(pyrrolidin-2-ylmethyl)aniline

3-chloro-5-(pyrrolidin-2-ylmethyl)aniline (PubChem CID 84678128) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 3-chloro-5-(pyrrolidin-2-ylmethyl)aniline.

Molecular Properties

Compound Name3-chloro-5-(pyrrolidin-2-ylmethyl)aniline
PubChem CID84678128
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name3-chloro-5-(pyrrolidin-2-ylmethyl)aniline
SMILESNc1cc(Cl)cc(CC2CCCN2)c1
InChIInChI=1S/C11H15ClN2/c12-9-4-8(5-10(13)7-9)6-11-2-1-3-14-11/h4-5,7,11,14H,1-3,6,13H2
InChIKeyVZJUJLOBQBYEDZ-UHFFFAOYSA-N
XLogP2.22
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 52.22
H-Bond Donors ≤ 52
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 3-chloro-5-(pyrrolidin-2-ylmethyl)aniline?
The IUPAC name of 3-chloro-5-(pyrrolidin-2-ylmethyl)aniline (CID 84678128) is 3-chloro-5-(pyrrolidin-2-ylmethyl)aniline.
What is the SMILES notation for 3-chloro-5-(pyrrolidin-2-ylmethyl)aniline?
The canonical SMILES for 3-chloro-5-(pyrrolidin-2-ylmethyl)aniline is Nc1cc(Cl)cc(CC2CCCN2)c1.
What is the InChIKey of 3-chloro-5-(pyrrolidin-2-ylmethyl)aniline?
The InChIKey is VZJUJLOBQBYEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c12-9-4-8(5-10(13)7-9)6-11-2-1-3-14-11/h4-5,7,11,14H,1-3,6,13H2.
What are the key properties of 3-chloro-5-(pyrrolidin-2-ylmethyl)aniline?
3-chloro-5-(pyrrolidin-2-ylmethyl)aniline has a molecular weight of 210.71 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(pyrrolidin-2-ylmethyl)aniline is sourced from PubChem (CID 84678128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).