(3S)-3-(3-ethylphenyl)pyrrolidine

C12H17N — CID 130943916

IUPAC(3S)-3-(3-ethylphenyl)pyrrolidine
SMILESCCc1cccc([C@@H]2CCNC2)c1
InChIInChI=1S/C12H17N/c1-2-10-4-3-5-11(8-10)12-6-7-13-9-12/h3-5,8,12-13H,2,6-7,9H2,1H3/t12-/m1/s1
InChIKeyQAMAXWRAEUFTJU-GFCCVEGCSA-N
MW175.27 g/mol
LogP2.33
Rot. Bonds2

About (3S)-3-(3-ethylphenyl)pyrrolidine

(3S)-3-(3-ethylphenyl)pyrrolidine (PubChem CID 130943916) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is (3S)-3-(3-ethylphenyl)pyrrolidine.

Molecular Properties

Compound Name(3S)-3-(3-ethylphenyl)pyrrolidine
PubChem CID130943916
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name(3S)-3-(3-ethylphenyl)pyrrolidine
SMILESCCc1cccc([C@@H]2CCNC2)c1
InChIInChI=1S/C12H17N/c1-2-10-4-3-5-11(8-10)12-6-7-13-9-12/h3-5,8,12-13H,2,6-7,9H2,1H3/t12-/m1/s1
InChIKeyQAMAXWRAEUFTJU-GFCCVEGCSA-N
XLogP2.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-(3-piperidin-3-ylphenyl)methanamine
CID 116988688
3-(3-ethoxyphenyl)pyrrolidine
CID 62064360
(3-piperidin-3-ylphenyl)methanamine
CID 82603658
3-(3-ethoxyphenyl)pyrrolidine;hydrochloride
CID 169498382
3-pyrrolidin-3-ylphenol
CID 12937992
3-[(3S)-pyrrolidin-3-yl]aniline
CID 86324837
3-(3-propan-2-ylphenyl)pyrrolidine
CID 58484109
4-[3-(4-ethylphenyl)phenyl]piperidine
CID 129173744
1-(3-piperidin-3-ylphenyl)propan-2-ol
CID 117116416
3-pyrrolidin-3-ylphenol;hydrochloride
CID 139593330
3-(3-iodophenyl)pyrrolidine;hydrochloride
CID 169498448
ethane;3-phenylpyrrolidine
CID 91032726

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-ethylphenyl)pyrrolidine?
The IUPAC name of (3S)-3-(3-ethylphenyl)pyrrolidine (CID 130943916) is (3S)-3-(3-ethylphenyl)pyrrolidine.
What is the SMILES notation for (3S)-3-(3-ethylphenyl)pyrrolidine?
The canonical SMILES for (3S)-3-(3-ethylphenyl)pyrrolidine is CCc1cccc([C@@H]2CCNC2)c1.
What is the InChIKey of (3S)-3-(3-ethylphenyl)pyrrolidine?
The InChIKey is QAMAXWRAEUFTJU-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H17N/c1-2-10-4-3-5-11(8-10)12-6-7-13-9-12/h3-5,8,12-13H,2,6-7,9H2,1H3/t12-/m1/s1.
What are the key properties of (3S)-3-(3-ethylphenyl)pyrrolidine?
(3S)-3-(3-ethylphenyl)pyrrolidine has a molecular weight of 175.27 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-ethylphenyl)pyrrolidine is sourced from PubChem (CID 130943916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).