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

C10H12Cl2N2 — CID 59657925

IUPAC1-(3,4-dichlorophenyl)pyrrolidin-3-amine
SMILESNC1CCN(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C10H12Cl2N2/c11-9-2-1-8(5-10(9)12)14-4-3-7(13)6-14/h1-2,5,7H,3-4,6,13H2
InChIKeyJVTFJIMHNCNHEK-UHFFFAOYSA-N
MW231.13 g/mol
LogP2.53
Rot. Bonds1

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

1-(3,4-dichlorophenyl)pyrrolidin-3-amine (PubChem CID 59657925) has the molecular formula C10H12Cl2N2 and a molecular weight of 231.13 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)pyrrolidin-3-amine
PubChem CID59657925
Molecular FormulaC10H12Cl2N2
Molecular Weight231.13 g/mol
Exact Mass230.04
IUPAC Name1-(3,4-dichlorophenyl)pyrrolidin-3-amine
SMILESNC1CCN(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C10H12Cl2N2/c11-9-2-1-8(5-10(9)12)14-4-3-7(13)6-14/h1-2,5,7H,3-4,6,13H2
InChIKeyJVTFJIMHNCNHEK-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-(3,4-dichlorophenyl)pyrrolidin-3-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)pyrrolidin-3-amine (CID 59657925) is 1-(3,4-dichlorophenyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)pyrrolidin-3-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)pyrrolidin-3-amine is NC1CCN(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 1-(3,4-dichlorophenyl)pyrrolidin-3-amine?
The InChIKey is JVTFJIMHNCNHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2/c11-9-2-1-8(5-10(9)12)14-4-3-7(13)6-14/h1-2,5,7H,3-4,6,13H2.
What are the key properties of 1-(3,4-dichlorophenyl)pyrrolidin-3-amine?
1-(3,4-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-(3,4-dichlorophenyl)pyrrolidin-3-amine is sourced from PubChem (CID 59657925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).