4-chloro-2-(2,3-dihydro-1H-isoindol-1-yl)-N-methylaniline

C15H15ClN2 — CID 24974702

IUPAC4-chloro-2-(2,3-dihydro-1H-isoindol-1-yl)-N-methylaniline
SMILESCNc1ccc(Cl)cc1C1NCc2ccccc21
InChIInChI=1S/C15H15ClN2/c1-17-14-7-6-11(16)8-13(14)15-12-5-3-2-4-10(12)9-18-15/h2-8,15,17-18H,9H2,1H3
InChIKeyNNPRUTCQUHCVDU-UHFFFAOYSA-N
MW258.75 g/mol
LogP3.57
Rot. Bonds2

About 4-chloro-2-(2,3-dihydro-1H-isoindol-1-yl)-N-methylaniline

4-chloro-2-(2,3-dihydro-1H-isoindol-1-yl)-N-methylaniline (PubChem CID 24974702) has the molecular formula C15H15ClN2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 4-chloro-2-(2,3-dihydro-1H-isoindol-1-yl)-N-methylaniline.

Molecular Properties

Compound Name4-chloro-2-(2,3-dihydro-1H-isoindol-1-yl)-N-methylaniline
PubChem CID24974702
Molecular FormulaC15H15ClN2
Molecular Weight258.75 g/mol
Exact Mass258.09
IUPAC Name4-chloro-2-(2,3-dihydro-1H-isoindol-1-yl)-N-methylaniline
SMILESCNc1ccc(Cl)cc1C1NCc2ccccc21
InChIInChI=1S/C15H15ClN2/c1-17-14-7-6-11(16)8-13(14)15-12-5-3-2-4-10(12)9-18-15/h2-8,15,17-18H,9H2,1H3
InChIKeyNNPRUTCQUHCVDU-UHFFFAOYSA-N
XLogP3.57
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,3-dihydro-1H-isoindol-1-yl)-N-methylaniline?
The IUPAC name of 4-chloro-2-(2,3-dihydro-1H-isoindol-1-yl)-N-methylaniline (CID 24974702) is 4-chloro-2-(2,3-dihydro-1H-isoindol-1-yl)-N-methylaniline.
What is the SMILES notation for 4-chloro-2-(2,3-dihydro-1H-isoindol-1-yl)-N-methylaniline?
The canonical SMILES for 4-chloro-2-(2,3-dihydro-1H-isoindol-1-yl)-N-methylaniline is CNc1ccc(Cl)cc1C1NCc2ccccc21.
What is the InChIKey of 4-chloro-2-(2,3-dihydro-1H-isoindol-1-yl)-N-methylaniline?
The InChIKey is NNPRUTCQUHCVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2/c1-17-14-7-6-11(16)8-13(14)15-12-5-3-2-4-10(12)9-18-15/h2-8,15,17-18H,9H2,1H3.
What are the key properties of 4-chloro-2-(2,3-dihydro-1H-isoindol-1-yl)-N-methylaniline?
4-chloro-2-(2,3-dihydro-1H-isoindol-1-yl)-N-methylaniline has a molecular weight of 258.75 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,3-dihydro-1H-isoindol-1-yl)-N-methylaniline is sourced from PubChem (CID 24974702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).