N-(4-chlorophenyl)-1-ethylpyrrolidin-3-amine

C12H17ClN2 — CID 154333311

IUPACN-(4-chlorophenyl)-1-ethylpyrrolidin-3-amine
SMILESCCN1CCC(Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C12H17ClN2/c1-2-15-8-7-12(9-15)14-11-5-3-10(13)4-6-11/h3-6,12,14H,2,7-9H2,1H3
InChIKeyDMMKDTUJZKZIIT-UHFFFAOYSA-N
MW224.73 g/mol
LogP2.85
Rot. Bonds3

About N-(4-chlorophenyl)-1-ethylpyrrolidin-3-amine

N-(4-chlorophenyl)-1-ethylpyrrolidin-3-amine (PubChem CID 154333311) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-ethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-ethylpyrrolidin-3-amine
PubChem CID154333311
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC NameN-(4-chlorophenyl)-1-ethylpyrrolidin-3-amine
SMILESCCN1CCC(Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C12H17ClN2/c1-2-15-8-7-12(9-15)14-11-5-3-10(13)4-6-11/h3-6,12,14H,2,7-9H2,1H3
InChIKeyDMMKDTUJZKZIIT-UHFFFAOYSA-N
XLogP2.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-ethylpyrrolidin-3-amine?
The IUPAC name of N-(4-chlorophenyl)-1-ethylpyrrolidin-3-amine (CID 154333311) is N-(4-chlorophenyl)-1-ethylpyrrolidin-3-amine.
What is the SMILES notation for N-(4-chlorophenyl)-1-ethylpyrrolidin-3-amine?
The canonical SMILES for N-(4-chlorophenyl)-1-ethylpyrrolidin-3-amine is CCN1CCC(Nc2ccc(Cl)cc2)C1.
What is the InChIKey of N-(4-chlorophenyl)-1-ethylpyrrolidin-3-amine?
The InChIKey is DMMKDTUJZKZIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-2-15-8-7-12(9-15)14-11-5-3-10(13)4-6-11/h3-6,12,14H,2,7-9H2,1H3.
What are the key properties of N-(4-chlorophenyl)-1-ethylpyrrolidin-3-amine?
N-(4-chlorophenyl)-1-ethylpyrrolidin-3-amine has a molecular weight of 224.73 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-ethylpyrrolidin-3-amine is sourced from PubChem (CID 154333311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).