2-[3-chloro-4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]ethanamine

C15H23ClN2 — CID 81165721

IUPAC2-[3-chloro-4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]ethanamine
SMILESCC(C)C1CCCN1c1ccc(CCN)cc1Cl
InChIInChI=1S/C15H23ClN2/c1-11(2)14-4-3-9-18(14)15-6-5-12(7-8-17)10-13(15)16/h5-6,10-11,14H,3-4,7-9,17H2,1-2H3
InChIKeyTUARAESIHUMPFA-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.47
Rot. Bonds4

About 2-[3-chloro-4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]ethanamine

2-[3-chloro-4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]ethanamine (PubChem CID 81165721) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 2-[3-chloro-4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-chloro-4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]ethanamine
PubChem CID81165721
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name2-[3-chloro-4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]ethanamine
SMILESCC(C)C1CCCN1c1ccc(CCN)cc1Cl
InChIInChI=1S/C15H23ClN2/c1-11(2)14-4-3-9-18(14)15-6-5-12(7-8-17)10-13(15)16/h5-6,10-11,14H,3-4,7-9,17H2,1-2H3
InChIKeyTUARAESIHUMPFA-UHFFFAOYSA-N
XLogP3.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]ethanamine?
The IUPAC name of 2-[3-chloro-4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]ethanamine (CID 81165721) is 2-[3-chloro-4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[3-chloro-4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]ethanamine?
The canonical SMILES for 2-[3-chloro-4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]ethanamine is CC(C)C1CCCN1c1ccc(CCN)cc1Cl.
What is the InChIKey of 2-[3-chloro-4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]ethanamine?
The InChIKey is TUARAESIHUMPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-11(2)14-4-3-9-18(14)15-6-5-12(7-8-17)10-13(15)16/h5-6,10-11,14H,3-4,7-9,17H2,1-2H3.
What are the key properties of 2-[3-chloro-4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]ethanamine?
2-[3-chloro-4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]ethanamine has a molecular weight of 266.82 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 81165721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).