2,4-dichloro-N-[[(2R)-pyrrolidin-2-yl]methyl]aniline

C11H14Cl2N2 — CID 42579920

IUPAC2,4-dichloro-N-[[(2R)-pyrrolidin-2-yl]methyl]aniline
SMILESClc1ccc(NC[C@H]2CCCN2)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2/c12-8-3-4-11(10(13)6-8)15-7-9-2-1-5-14-9/h3-4,6,9,14-15H,1-2,5,7H2/t9-/m1/s1
InChIKeyQLTUBMHLTQRLIG-SECBINFHSA-N
MW245.15 g/mol
LogP3.16
Rot. Bonds3

About 2,4-dichloro-N-[[(2R)-pyrrolidin-2-yl]methyl]aniline

2,4-dichloro-N-[[(2R)-pyrrolidin-2-yl]methyl]aniline (PubChem CID 42579920) has the molecular formula C11H14Cl2N2 and a molecular weight of 245.15 g/mol. Its IUPAC name is 2,4-dichloro-N-[[(2R)-pyrrolidin-2-yl]methyl]aniline.

Molecular Properties

Compound Name2,4-dichloro-N-[[(2R)-pyrrolidin-2-yl]methyl]aniline
PubChem CID42579920
Molecular FormulaC11H14Cl2N2
Molecular Weight245.15 g/mol
Exact Mass244.05
IUPAC Name2,4-dichloro-N-[[(2R)-pyrrolidin-2-yl]methyl]aniline
SMILESClc1ccc(NC[C@H]2CCCN2)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2/c12-8-3-4-11(10(13)6-8)15-7-9-2-1-5-14-9/h3-4,6,9,14-15H,1-2,5,7H2/t9-/m1/s1
InChIKeyQLTUBMHLTQRLIG-SECBINFHSA-N
XLogP3.16
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[[(2R)-pyrrolidin-2-yl]methyl]aniline?
The IUPAC name of 2,4-dichloro-N-[[(2R)-pyrrolidin-2-yl]methyl]aniline (CID 42579920) is 2,4-dichloro-N-[[(2R)-pyrrolidin-2-yl]methyl]aniline.
What is the SMILES notation for 2,4-dichloro-N-[[(2R)-pyrrolidin-2-yl]methyl]aniline?
The canonical SMILES for 2,4-dichloro-N-[[(2R)-pyrrolidin-2-yl]methyl]aniline is Clc1ccc(NC[C@H]2CCCN2)c(Cl)c1.
What is the InChIKey of 2,4-dichloro-N-[[(2R)-pyrrolidin-2-yl]methyl]aniline?
The InChIKey is QLTUBMHLTQRLIG-SECBINFHSA-N. The full InChI is InChI=1S/C11H14Cl2N2/c12-8-3-4-11(10(13)6-8)15-7-9-2-1-5-14-9/h3-4,6,9,14-15H,1-2,5,7H2/t9-/m1/s1.
What are the key properties of 2,4-dichloro-N-[[(2R)-pyrrolidin-2-yl]methyl]aniline?
2,4-dichloro-N-[[(2R)-pyrrolidin-2-yl]methyl]aniline has a molecular weight of 245.15 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[[(2R)-pyrrolidin-2-yl]methyl]aniline is sourced from PubChem (CID 42579920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).