1-[2-chloro-1-(4-ethylphenyl)ethyl]pyrrolidine

C14H20ClN — CID 82084005

IUPAC1-[2-chloro-1-(4-ethylphenyl)ethyl]pyrrolidine
SMILESCCc1ccc(C(CCl)N2CCCC2)cc1
InChIInChI=1S/C14H20ClN/c1-2-12-5-7-13(8-6-12)14(11-15)16-9-3-4-10-16/h5-8,14H,2-4,9-11H2,1H3
InChIKeyDDPHIGVHFSWERZ-UHFFFAOYSA-N
MW237.77 g/mol
LogP3.62
Rot. Bonds4

About 1-[2-chloro-1-(4-ethylphenyl)ethyl]pyrrolidine

1-[2-chloro-1-(4-ethylphenyl)ethyl]pyrrolidine (PubChem CID 82084005) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 1-[2-chloro-1-(4-ethylphenyl)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-chloro-1-(4-ethylphenyl)ethyl]pyrrolidine
PubChem CID82084005
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name1-[2-chloro-1-(4-ethylphenyl)ethyl]pyrrolidine
SMILESCCc1ccc(C(CCl)N2CCCC2)cc1
InChIInChI=1S/C14H20ClN/c1-2-12-5-7-13(8-6-12)14(11-15)16-9-3-4-10-16/h5-8,14H,2-4,9-11H2,1H3
InChIKeyDDPHIGVHFSWERZ-UHFFFAOYSA-N
XLogP3.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethylphenyl)-2-piperidin-1-ylethanol
CID 54775819
(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethanamine
CID 97182150
(2S)-2-(4-ethylphenyl)-2-piperidin-1-ylethanamine
CID 97182151
4-(4-ethylphenyl)-4-pyrrolidin-1-ylbutan-1-amine
CID 112501186
1-[2-chloro-1-(4-methoxyphenyl)ethyl]piperidine
CID 82088353
1-[(4-ethylphenyl)-piperidin-1-ylmethyl]piperidine
CID 71395685
2-(4-ethylphenyl)-2-(4-methylpiperazin-1-yl)ethanol
CID 82086942
2-[4-(2-methylpropyl)phenyl]-2-piperidin-1-ylethanol
CID 116860102
1-[1-(4-ethylphenyl)propyl]piperidine-4-carboxylic acid
CID 5196353
1-[2-chloro-1-(3-chlorophenyl)ethyl]piperidine
CID 82089462
2-(azepan-1-yl)-2-(4-cyclopropylphenyl)ethanamine
CID 79984707
3-(2-chloro-1-pyrrolidin-1-ylethyl)pyridine
CID 82078027

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-1-(4-ethylphenyl)ethyl]pyrrolidine?
The IUPAC name of 1-[2-chloro-1-(4-ethylphenyl)ethyl]pyrrolidine (CID 82084005) is 1-[2-chloro-1-(4-ethylphenyl)ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-chloro-1-(4-ethylphenyl)ethyl]pyrrolidine?
The canonical SMILES for 1-[2-chloro-1-(4-ethylphenyl)ethyl]pyrrolidine is CCc1ccc(C(CCl)N2CCCC2)cc1.
What is the InChIKey of 1-[2-chloro-1-(4-ethylphenyl)ethyl]pyrrolidine?
The InChIKey is DDPHIGVHFSWERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-2-12-5-7-13(8-6-12)14(11-15)16-9-3-4-10-16/h5-8,14H,2-4,9-11H2,1H3.
What are the key properties of 1-[2-chloro-1-(4-ethylphenyl)ethyl]pyrrolidine?
1-[2-chloro-1-(4-ethylphenyl)ethyl]pyrrolidine has a molecular weight of 237.77 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-1-(4-ethylphenyl)ethyl]pyrrolidine is sourced from PubChem (CID 82084005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).