(2R)-2-(3-chloro-2-ethylphenyl)pyrrolidine

C12H16ClN — CID 130786361

IUPAC(2R)-2-(3-chloro-2-ethylphenyl)pyrrolidine
SMILESCCc1c(Cl)cccc1[C@H]1CCCN1
InChIInChI=1S/C12H16ClN/c1-2-9-10(5-3-6-11(9)13)12-7-4-8-14-12/h3,5-6,12,14H,2,4,7-8H2,1H3/t12-/m1/s1
InChIKeyQDZCPYZSBQIFEP-GFCCVEGCSA-N
MW209.72 g/mol
LogP3.33
Rot. Bonds2

About (2R)-2-(3-chloro-2-ethylphenyl)pyrrolidine

(2R)-2-(3-chloro-2-ethylphenyl)pyrrolidine (PubChem CID 130786361) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is (2R)-2-(3-chloro-2-ethylphenyl)pyrrolidine.

Molecular Properties

Compound Name(2R)-2-(3-chloro-2-ethylphenyl)pyrrolidine
PubChem CID130786361
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name(2R)-2-(3-chloro-2-ethylphenyl)pyrrolidine
SMILESCCc1c(Cl)cccc1[C@H]1CCCN1
InChIInChI=1S/C12H16ClN/c1-2-9-10(5-3-6-11(9)13)12-7-4-8-14-12/h3,5-6,12,14H,2,4,7-8H2,1H3/t12-/m1/s1
InChIKeyQDZCPYZSBQIFEP-GFCCVEGCSA-N
XLogP3.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-2-methylphenyl)piperidine
CID 83392215
(2S)-2-(2-chloro-3-methylphenyl)pyrrolidine
CID 55274966
2-chloro-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66518543
(2R)-2-(3,4-dichloro-2-ethylphenyl)azetidine
CID 130647391
2-[3-chloro-2-(difluoromethyl)phenyl]pyrrolidine
CID 84695145
2-(4-chloro-2-methylphenyl)pyrrolidine
CID 55268605
2-(2-chloro-3-methoxyphenyl)pyrrolidine
CID 83703297
2-(5-chloro-2-ethylphenyl)pyrrolidine
CID 84677413
(2S)-2-(2-chloro-3-methoxyphenyl)pyrrolidine
CID 130973106
2-(5-ethyl-2-methylphenyl)pyrrolidine
CID 117281634
2-(2-ethylphenyl)azepane;hydrochloride
CID 146193845
(2R)-2-naphthalen-1-ylpyrrolidine;hydrochloride
CID 154803630

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chloro-2-ethylphenyl)pyrrolidine?
The IUPAC name of (2R)-2-(3-chloro-2-ethylphenyl)pyrrolidine (CID 130786361) is (2R)-2-(3-chloro-2-ethylphenyl)pyrrolidine.
What is the SMILES notation for (2R)-2-(3-chloro-2-ethylphenyl)pyrrolidine?
The canonical SMILES for (2R)-2-(3-chloro-2-ethylphenyl)pyrrolidine is CCc1c(Cl)cccc1[C@H]1CCCN1.
What is the InChIKey of (2R)-2-(3-chloro-2-ethylphenyl)pyrrolidine?
The InChIKey is QDZCPYZSBQIFEP-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H16ClN/c1-2-9-10(5-3-6-11(9)13)12-7-4-8-14-12/h3,5-6,12,14H,2,4,7-8H2,1H3/t12-/m1/s1.
What are the key properties of (2R)-2-(3-chloro-2-ethylphenyl)pyrrolidine?
(2R)-2-(3-chloro-2-ethylphenyl)pyrrolidine has a molecular weight of 209.72 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chloro-2-ethylphenyl)pyrrolidine is sourced from PubChem (CID 130786361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).