cis-(1R,2R)-N-butan-2-yl-2-(2,4-dichlorophenyl)cyclobutan-1-amine

C14H19Cl2N — CID 175527113

IUPACcis-(1R,2R)-N-butan-2-yl-2-(2,4-dichlorophenyl)cyclobutan-1-amine
SMILESCCC(C)N[C@@H]1CC[C@@H]1c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2N/c1-3-9(2)17-14-7-6-12(14)11-5-4-10(15)8-13(11)16/h4-5,8-9,12,14,17H,3,6-7H2,1-2H3/t9?,12-,14-/m1/s1
InChIKeyOBYFHVKQPOEDLG-NTVGDFDMSA-N
MW272.22 g/mol
LogP4.63
Rot. Bonds4

About cis-(1R,2R)-N-butan-2-yl-2-(2,4-dichlorophenyl)cyclobutan-1-amine

cis-(1R,2R)-N-butan-2-yl-2-(2,4-dichlorophenyl)cyclobutan-1-amine (PubChem CID 175527113) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is cis-(1R,2R)-N-butan-2-yl-2-(2,4-dichlorophenyl)cyclobutan-1-amine.

Molecular Properties

Compound Namecis-(1R,2R)-N-butan-2-yl-2-(2,4-dichlorophenyl)cyclobutan-1-amine
PubChem CID175527113
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC Namecis-(1R,2R)-N-butan-2-yl-2-(2,4-dichlorophenyl)cyclobutan-1-amine
SMILESCCC(C)N[C@@H]1CC[C@@H]1c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2N/c1-3-9(2)17-14-7-6-12(14)11-5-4-10(15)8-13(11)16/h4-5,8-9,12,14,17H,3,6-7H2,1-2H3/t9?,12-,14-/m1/s1
InChIKeyOBYFHVKQPOEDLG-NTVGDFDMSA-N
XLogP4.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-N-butan-2-yl-2-(2,4-dichlorophenyl)cyclobutan-1-amine?
The IUPAC name of cis-(1R,2R)-N-butan-2-yl-2-(2,4-dichlorophenyl)cyclobutan-1-amine (CID 175527113) is cis-(1R,2R)-N-butan-2-yl-2-(2,4-dichlorophenyl)cyclobutan-1-amine.
What is the SMILES notation for cis-(1R,2R)-N-butan-2-yl-2-(2,4-dichlorophenyl)cyclobutan-1-amine?
The canonical SMILES for cis-(1R,2R)-N-butan-2-yl-2-(2,4-dichlorophenyl)cyclobutan-1-amine is CCC(C)N[C@@H]1CC[C@@H]1c1ccc(Cl)cc1Cl.
What is the InChIKey of cis-(1R,2R)-N-butan-2-yl-2-(2,4-dichlorophenyl)cyclobutan-1-amine?
The InChIKey is OBYFHVKQPOEDLG-NTVGDFDMSA-N. The full InChI is InChI=1S/C14H19Cl2N/c1-3-9(2)17-14-7-6-12(14)11-5-4-10(15)8-13(11)16/h4-5,8-9,12,14,17H,3,6-7H2,1-2H3/t9?,12-,14-/m1/s1.
What are the key properties of cis-(1R,2R)-N-butan-2-yl-2-(2,4-dichlorophenyl)cyclobutan-1-amine?
cis-(1R,2R)-N-butan-2-yl-2-(2,4-dichlorophenyl)cyclobutan-1-amine has a molecular weight of 272.22 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-N-butan-2-yl-2-(2,4-dichlorophenyl)cyclobutan-1-amine is sourced from PubChem (CID 175527113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).