3-N-(5-bromo-2-chlorophenyl)cyclopentane-1,3-diamine

C11H14BrClN2 — CID 79461483

IUPAC3-N-(5-bromo-2-chlorophenyl)cyclopentane-1,3-diamine
SMILESNC1CCC(Nc2cc(Br)ccc2Cl)C1
InChIInChI=1S/C11H14BrClN2/c12-7-1-4-10(13)11(5-7)15-9-3-2-8(14)6-9/h1,4-5,8-9,15H,2-3,6,14H2
InChIKeyQBWBRDSMSDDHLQ-UHFFFAOYSA-N
MW289.60 g/mol
LogP3.39
Rot. Bonds2

About 3-N-(5-bromo-2-chlorophenyl)cyclopentane-1,3-diamine

3-N-(5-bromo-2-chlorophenyl)cyclopentane-1,3-diamine (PubChem CID 79461483) has the molecular formula C11H14BrClN2 and a molecular weight of 289.60 g/mol. Its IUPAC name is 3-N-(5-bromo-2-chlorophenyl)cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-(5-bromo-2-chlorophenyl)cyclopentane-1,3-diamine
PubChem CID79461483
Molecular FormulaC11H14BrClN2
Molecular Weight289.60 g/mol
Exact Mass288.00
IUPAC Name3-N-(5-bromo-2-chlorophenyl)cyclopentane-1,3-diamine
SMILESNC1CCC(Nc2cc(Br)ccc2Cl)C1
InChIInChI=1S/C11H14BrClN2/c12-7-1-4-10(13)11(5-7)15-9-3-2-8(14)6-9/h1,4-5,8-9,15H,2-3,6,14H2
InChIKeyQBWBRDSMSDDHLQ-UHFFFAOYSA-N
XLogP3.39
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.60
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-N-(5-bromo-2-chlorophenyl)cyclopentane-1,3-diamine?
The IUPAC name of 3-N-(5-bromo-2-chlorophenyl)cyclopentane-1,3-diamine (CID 79461483) is 3-N-(5-bromo-2-chlorophenyl)cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-(5-bromo-2-chlorophenyl)cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-(5-bromo-2-chlorophenyl)cyclopentane-1,3-diamine is NC1CCC(Nc2cc(Br)ccc2Cl)C1.
What is the InChIKey of 3-N-(5-bromo-2-chlorophenyl)cyclopentane-1,3-diamine?
The InChIKey is QBWBRDSMSDDHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2/c12-7-1-4-10(13)11(5-7)15-9-3-2-8(14)6-9/h1,4-5,8-9,15H,2-3,6,14H2.
What are the key properties of 3-N-(5-bromo-2-chlorophenyl)cyclopentane-1,3-diamine?
3-N-(5-bromo-2-chlorophenyl)cyclopentane-1,3-diamine has a molecular weight of 289.60 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(5-bromo-2-chlorophenyl)cyclopentane-1,3-diamine is sourced from PubChem (CID 79461483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).