(2,5-dichlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine

C16H22Cl2N2 — CID 79058950

IUPAC(2,5-dichlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine
SMILESNC(c1cc(Cl)ccc1Cl)C1(N2CCCC2)CCCC1
InChIInChI=1S/C16H22Cl2N2/c17-12-5-6-14(18)13(11-12)15(19)16(7-1-2-8-16)20-9-3-4-10-20/h5-6,11,15H,1-4,7-10,19H2
InChIKeySIHRZOFEABXBEV-UHFFFAOYSA-N
MW313.27 g/mol
LogP4.40
Rot. Bonds3

About (2,5-dichlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine

(2,5-dichlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine (PubChem CID 79058950) has the molecular formula C16H22Cl2N2 and a molecular weight of 313.27 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine
PubChem CID79058950
Molecular FormulaC16H22Cl2N2
Molecular Weight313.27 g/mol
Exact Mass312.12
IUPAC Name(2,5-dichlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine
SMILESNC(c1cc(Cl)ccc1Cl)C1(N2CCCC2)CCCC1
InChIInChI=1S/C16H22Cl2N2/c17-12-5-6-14(18)13(11-12)15(19)16(7-1-2-8-16)20-9-3-4-10-20/h5-6,11,15H,1-4,7-10,19H2
InChIKeySIHRZOFEABXBEV-UHFFFAOYSA-N
XLogP4.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine?
The IUPAC name of (2,5-dichlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine (CID 79058950) is (2,5-dichlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine.
What is the SMILES notation for (2,5-dichlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine?
The canonical SMILES for (2,5-dichlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine is NC(c1cc(Cl)ccc1Cl)C1(N2CCCC2)CCCC1.
What is the InChIKey of (2,5-dichlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine?
The InChIKey is SIHRZOFEABXBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2/c17-12-5-6-14(18)13(11-12)15(19)16(7-1-2-8-16)20-9-3-4-10-20/h5-6,11,15H,1-4,7-10,19H2.
What are the key properties of (2,5-dichlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine?
(2,5-dichlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine has a molecular weight of 313.27 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine is sourced from PubChem (CID 79058950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).