1-(2,4-dichlorophenyl)pyrrolidin-3-amine

C10H12Cl2N2 — CID 60861626

IUPAC1-(2,4-dichlorophenyl)pyrrolidin-3-amine
SMILESNC1CCN(c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C10H12Cl2N2/c11-7-1-2-10(9(12)5-7)14-4-3-8(13)6-14/h1-2,5,8H,3-4,6,13H2
InChIKeySYKHNMBLUOWWIZ-UHFFFAOYSA-N
MW231.13 g/mol
LogP2.53
Rot. Bonds1

About 1-(2,4-dichlorophenyl)pyrrolidin-3-amine

1-(2,4-dichlorophenyl)pyrrolidin-3-amine (PubChem CID 60861626) has the molecular formula C10H12Cl2N2 and a molecular weight of 231.13 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)pyrrolidin-3-amine
PubChem CID60861626
Molecular FormulaC10H12Cl2N2
Molecular Weight231.13 g/mol
Exact Mass230.04
IUPAC Name1-(2,4-dichlorophenyl)pyrrolidin-3-amine
SMILESNC1CCN(c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C10H12Cl2N2/c11-7-1-2-10(9(12)5-7)14-4-3-8(13)6-14/h1-2,5,8H,3-4,6,13H2
InChIKeySYKHNMBLUOWWIZ-UHFFFAOYSA-N
XLogP2.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.13
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)pyrrolidin-3-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)pyrrolidin-3-amine (CID 60861626) is 1-(2,4-dichlorophenyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)pyrrolidin-3-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)pyrrolidin-3-amine is NC1CCN(c2ccc(Cl)cc2Cl)C1.
What is the InChIKey of 1-(2,4-dichlorophenyl)pyrrolidin-3-amine?
The InChIKey is SYKHNMBLUOWWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2/c11-7-1-2-10(9(12)5-7)14-4-3-8(13)6-14/h1-2,5,8H,3-4,6,13H2.
What are the key properties of 1-(2,4-dichlorophenyl)pyrrolidin-3-amine?
1-(2,4-dichlorophenyl)pyrrolidin-3-amine has a molecular weight of 231.13 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)pyrrolidin-3-amine is sourced from PubChem (CID 60861626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).