2-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-N-ethylethanamine

C15H23ClN2 — CID 83980952

IUPAC2-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-N-ethylethanamine
SMILESCCNCCC1CCN(Cc2cccc(Cl)c2)C1
InChIInChI=1S/C15H23ClN2/c1-2-17-8-6-13-7-9-18(11-13)12-14-4-3-5-15(16)10-14/h3-5,10,13,17H,2,6-9,11-12H2,1H3
InChIKeyAGQJYNXVOUVOBT-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.16
Rot. Bonds6

About 2-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-N-ethylethanamine

2-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-N-ethylethanamine (PubChem CID 83980952) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 2-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-N-ethylethanamine.

Molecular Properties

Compound Name2-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-N-ethylethanamine
PubChem CID83980952
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name2-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-N-ethylethanamine
SMILESCCNCCC1CCN(Cc2cccc(Cl)c2)C1
InChIInChI=1S/C15H23ClN2/c1-2-17-8-6-13-7-9-18(11-13)12-14-4-3-5-15(16)10-14/h3-5,10,13,17H,2,6-9,11-12H2,1H3
InChIKeyAGQJYNXVOUVOBT-UHFFFAOYSA-N
XLogP3.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 83980706
4-(chloromethyl)-1-[(3-chlorophenyl)methyl]piperidine
CID 63387553
1-[(3-chlorophenyl)methyl]-N-propylpiperidin-4-amine
CID 62538948
[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methanol
CID 47035134
N-[[3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]ethanamine
CID 64583996
1-benzyl-3-propylpyrrolidine
CID 12648211
1-[(3-chlorophenyl)methyl]piperidin-4-amine
CID 12641838
4-benzyl-1-[(3-chlorophenyl)methyl]piperidine
CID 785748
[(3R)-1-[(3-chlorophenyl)methyl]piperidin-3-yl]methanol
CID 40514299
4-(1-chloroethyl)-1-[(3-chlorophenyl)methyl]piperidine
CID 106838072
1-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]ethanone
CID 83980928
N-[[1-[(3-chlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 62582064

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-N-ethylethanamine?
The IUPAC name of 2-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-N-ethylethanamine (CID 83980952) is 2-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-N-ethylethanamine.
What is the SMILES notation for 2-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-N-ethylethanamine?
The canonical SMILES for 2-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-N-ethylethanamine is CCNCCC1CCN(Cc2cccc(Cl)c2)C1.
What is the InChIKey of 2-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-N-ethylethanamine?
The InChIKey is AGQJYNXVOUVOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-2-17-8-6-13-7-9-18(11-13)12-14-4-3-5-15(16)10-14/h3-5,10,13,17H,2,6-9,11-12H2,1H3.
What are the key properties of 2-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-N-ethylethanamine?
2-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-N-ethylethanamine has a molecular weight of 266.82 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-N-ethylethanamine is sourced from PubChem (CID 83980952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).