3-[(3-chlorophenyl)methyl]-1-(2-phenoxyethyl)pyrrolidine

C19H22ClNO — CID 67647985

IUPAC3-[(3-chlorophenyl)methyl]-1-(2-phenoxyethyl)pyrrolidine
SMILESClc1cccc(CC2CCN(CCOc3ccccc3)C2)c1
InChIInChI=1S/C19H22ClNO/c20-18-6-4-5-16(14-18)13-17-9-10-21(15-17)11-12-22-19-7-2-1-3-8-19/h1-8,14,17H,9-13,15H2
InChIKeyWYAWAVKBKXHOIF-UHFFFAOYSA-N
MW315.84 g/mol
LogP4.28
Rot. Bonds6

About 3-[(3-chlorophenyl)methyl]-1-(2-phenoxyethyl)pyrrolidine

3-[(3-chlorophenyl)methyl]-1-(2-phenoxyethyl)pyrrolidine (PubChem CID 67647985) has the molecular formula C19H22ClNO and a molecular weight of 315.84 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]-1-(2-phenoxyethyl)pyrrolidine.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]-1-(2-phenoxyethyl)pyrrolidine
PubChem CID67647985
Molecular FormulaC19H22ClNO
Molecular Weight315.84 g/mol
Exact Mass315.14
IUPAC Name3-[(3-chlorophenyl)methyl]-1-(2-phenoxyethyl)pyrrolidine
SMILESClc1cccc(CC2CCN(CCOc3ccccc3)C2)c1
InChIInChI=1S/C19H22ClNO/c20-18-6-4-5-16(14-18)13-17-9-10-21(15-17)11-12-22-19-7-2-1-3-8-19/h1-8,14,17H,9-13,15H2
InChIKeyWYAWAVKBKXHOIF-UHFFFAOYSA-N
XLogP4.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.84
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine;hydrochloride
CID 23294547
4-benzyl-1-(2-phenoxyethyl)piperidine;oxalic acid
CID 2923141
[1-[3-(3-chlorophenoxy)propyl]pyrrolidin-3-yl]methanol
CID 111442585
1-[1-[2-(3-chlorophenoxy)ethyl]piperidin-4-yl]-N,N-dimethylmethanamine;dihydrochloride
CID 19085401
4-benzyl-1-[(3-chlorophenyl)methyl]piperidine
CID 785748
1-(3-chlorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazine
CID 8757842
1-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidin-4-amine
CID 119923695
4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenol
CID 10086803
4-benzyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine
CID 23294464
[1-(2-phenoxyethyl)piperidin-4-yl]methanamine;hydrochloride
CID 119909793
1-[2-(3-chlorophenoxy)ethyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
CID 119926778
1-(2-phenoxyethyl)-4-(4-phenylbutyl)piperidine;hydrochloride
CID 117067777

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl]-1-(2-phenoxyethyl)pyrrolidine?
The IUPAC name of 3-[(3-chlorophenyl)methyl]-1-(2-phenoxyethyl)pyrrolidine (CID 67647985) is 3-[(3-chlorophenyl)methyl]-1-(2-phenoxyethyl)pyrrolidine.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]-1-(2-phenoxyethyl)pyrrolidine?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]-1-(2-phenoxyethyl)pyrrolidine is Clc1cccc(CC2CCN(CCOc3ccccc3)C2)c1.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]-1-(2-phenoxyethyl)pyrrolidine?
The InChIKey is WYAWAVKBKXHOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO/c20-18-6-4-5-16(14-18)13-17-9-10-21(15-17)11-12-22-19-7-2-1-3-8-19/h1-8,14,17H,9-13,15H2.
What are the key properties of 3-[(3-chlorophenyl)methyl]-1-(2-phenoxyethyl)pyrrolidine?
3-[(3-chlorophenyl)methyl]-1-(2-phenoxyethyl)pyrrolidine has a molecular weight of 315.84 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl]-1-(2-phenoxyethyl)pyrrolidine is sourced from PubChem (CID 67647985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).