3-(3-ethoxyphenyl)-2-(2-methylpropyl)pyrrolidine

C16H25NO — CID 62763617

IUPAC3-(3-ethoxyphenyl)-2-(2-methylpropyl)pyrrolidine
SMILESCCOc1cccc(C2CCNC2CC(C)C)c1
InChIInChI=1S/C16H25NO/c1-4-18-14-7-5-6-13(11-14)15-8-9-17-16(15)10-12(2)3/h5-7,11-12,15-17H,4,8-10H2,1-3H3
InChIKeyRDCJCFZXWJQFKK-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.58
Rot. Bonds5

About 3-(3-ethoxyphenyl)-2-(2-methylpropyl)pyrrolidine

3-(3-ethoxyphenyl)-2-(2-methylpropyl)pyrrolidine (PubChem CID 62763617) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-(3-ethoxyphenyl)-2-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name3-(3-ethoxyphenyl)-2-(2-methylpropyl)pyrrolidine
PubChem CID62763617
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-(3-ethoxyphenyl)-2-(2-methylpropyl)pyrrolidine
SMILESCCOc1cccc(C2CCNC2CC(C)C)c1
InChIInChI=1S/C16H25NO/c1-4-18-14-7-5-6-13(11-14)15-8-9-17-16(15)10-12(2)3/h5-7,11-12,15-17H,4,8-10H2,1-3H3
InChIKeyRDCJCFZXWJQFKK-UHFFFAOYSA-N
XLogP3.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R)-2-(2-methylpropyl)-3-phenylpyrrolidine
CID 101397686
(2S,3S)-2-(2-methylpropyl)-3-phenylpyrrolidine
CID 101397684
2-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 62763612
2-(2-methylpropyl)-3-(4-propoxyphenyl)pyrrolidine
CID 55112134
2-(3-ethoxyphenyl)-3-ethylpyrrolidine
CID 64689256
2-ethyl-3-(3-phenoxyphenyl)pyrrolidine
CID 63468592
[(2R,3S)-3-(3-methoxyphenyl)pyrrolidin-2-yl]methanol
CID 131873349
N-[[2-(3-ethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 81023463
2-(3-ethoxyphenyl)cyclopropan-1-amine;hydrochloride
CID 71758190
3-(3-ethoxyphenyl)pyrrolidine
CID 62064360
3-(3-ethoxyphenyl)-2,2-dimethylpyrrolidine
CID 62354565
3-(3-ethoxyphenyl)pyrrolidine;hydrochloride
CID 169498382

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxyphenyl)-2-(2-methylpropyl)pyrrolidine?
The IUPAC name of 3-(3-ethoxyphenyl)-2-(2-methylpropyl)pyrrolidine (CID 62763617) is 3-(3-ethoxyphenyl)-2-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for 3-(3-ethoxyphenyl)-2-(2-methylpropyl)pyrrolidine?
The canonical SMILES for 3-(3-ethoxyphenyl)-2-(2-methylpropyl)pyrrolidine is CCOc1cccc(C2CCNC2CC(C)C)c1.
What is the InChIKey of 3-(3-ethoxyphenyl)-2-(2-methylpropyl)pyrrolidine?
The InChIKey is RDCJCFZXWJQFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-18-14-7-5-6-13(11-14)15-8-9-17-16(15)10-12(2)3/h5-7,11-12,15-17H,4,8-10H2,1-3H3.
What are the key properties of 3-(3-ethoxyphenyl)-2-(2-methylpropyl)pyrrolidine?
3-(3-ethoxyphenyl)-2-(2-methylpropyl)pyrrolidine has a molecular weight of 247.38 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxyphenyl)-2-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 62763617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).