1-[1-(2-chlorophenyl)cyclopropyl]cyclopropan-1-amine

C12H14ClN — CID 83673850

IUPAC1-[1-(2-chlorophenyl)cyclopropyl]cyclopropan-1-amine
SMILESNC1(C2(c3ccccc3Cl)CC2)CC1
InChIInChI=1S/C12H14ClN/c13-10-4-2-1-3-9(10)11(5-6-11)12(14)7-8-12/h1-4H,5-8,14H2
InChIKeyRXNLCCSHRYLXGC-UHFFFAOYSA-N
MW207.70 g/mol
LogP2.86
Rot. Bonds2

About 1-[1-(2-chlorophenyl)cyclopropyl]cyclopropan-1-amine

1-[1-(2-chlorophenyl)cyclopropyl]cyclopropan-1-amine (PubChem CID 83673850) has the molecular formula C12H14ClN and a molecular weight of 207.70 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)cyclopropyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)cyclopropyl]cyclopropan-1-amine
PubChem CID83673850
Molecular FormulaC12H14ClN
Molecular Weight207.70 g/mol
Exact Mass207.08
IUPAC Name1-[1-(2-chlorophenyl)cyclopropyl]cyclopropan-1-amine
SMILESNC1(C2(c3ccccc3Cl)CC2)CC1
InChIInChI=1S/C12H14ClN/c13-10-4-2-1-3-9(10)11(5-6-11)12(14)7-8-12/h1-4H,5-8,14H2
InChIKeyRXNLCCSHRYLXGC-UHFFFAOYSA-N
XLogP2.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)cyclopropyl]cyclopropan-1-amine?
The IUPAC name of 1-[1-(2-chlorophenyl)cyclopropyl]cyclopropan-1-amine (CID 83673850) is 1-[1-(2-chlorophenyl)cyclopropyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[1-(2-chlorophenyl)cyclopropyl]cyclopropan-1-amine?
The canonical SMILES for 1-[1-(2-chlorophenyl)cyclopropyl]cyclopropan-1-amine is NC1(C2(c3ccccc3Cl)CC2)CC1.
What is the InChIKey of 1-[1-(2-chlorophenyl)cyclopropyl]cyclopropan-1-amine?
The InChIKey is RXNLCCSHRYLXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN/c13-10-4-2-1-3-9(10)11(5-6-11)12(14)7-8-12/h1-4H,5-8,14H2.
What are the key properties of 1-[1-(2-chlorophenyl)cyclopropyl]cyclopropan-1-amine?
1-[1-(2-chlorophenyl)cyclopropyl]cyclopropan-1-amine has a molecular weight of 207.70 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chlorophenyl)cyclopropyl]cyclopropan-1-amine is sourced from PubChem (CID 83673850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).