3-(2,4-dichlorophenyl)-N,2,2-trimethylcyclobutan-1-amine

C13H17Cl2N — CID 81418328

IUPAC3-(2,4-dichlorophenyl)-N,2,2-trimethylcyclobutan-1-amine
SMILESCNC1CC(c2ccc(Cl)cc2Cl)C1(C)C
InChIInChI=1S/C13H17Cl2N/c1-13(2)10(7-12(13)16-3)9-5-4-8(14)6-11(9)15/h4-6,10,12,16H,7H2,1-3H3
InChIKeyLNAVENFBLZNMOX-UHFFFAOYSA-N
MW258.19 g/mol
LogP4.09
Rot. Bonds2

About 3-(2,4-dichlorophenyl)-N,2,2-trimethylcyclobutan-1-amine

3-(2,4-dichlorophenyl)-N,2,2-trimethylcyclobutan-1-amine (PubChem CID 81418328) has the molecular formula C13H17Cl2N and a molecular weight of 258.19 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N,2,2-trimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N,2,2-trimethylcyclobutan-1-amine
PubChem CID81418328
Molecular FormulaC13H17Cl2N
Molecular Weight258.19 g/mol
Exact Mass257.07
IUPAC Name3-(2,4-dichlorophenyl)-N,2,2-trimethylcyclobutan-1-amine
SMILESCNC1CC(c2ccc(Cl)cc2Cl)C1(C)C
InChIInChI=1S/C13H17Cl2N/c1-13(2)10(7-12(13)16-3)9-5-4-8(14)6-11(9)15/h4-6,10,12,16H,7H2,1-3H3
InChIKeyLNAVENFBLZNMOX-UHFFFAOYSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N,2,2-trimethylcyclobutan-1-amine?
The IUPAC name of 3-(2,4-dichlorophenyl)-N,2,2-trimethylcyclobutan-1-amine (CID 81418328) is 3-(2,4-dichlorophenyl)-N,2,2-trimethylcyclobutan-1-amine.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N,2,2-trimethylcyclobutan-1-amine?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N,2,2-trimethylcyclobutan-1-amine is CNC1CC(c2ccc(Cl)cc2Cl)C1(C)C.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N,2,2-trimethylcyclobutan-1-amine?
The InChIKey is LNAVENFBLZNMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N/c1-13(2)10(7-12(13)16-3)9-5-4-8(14)6-11(9)15/h4-6,10,12,16H,7H2,1-3H3.
What are the key properties of 3-(2,4-dichlorophenyl)-N,2,2-trimethylcyclobutan-1-amine?
3-(2,4-dichlorophenyl)-N,2,2-trimethylcyclobutan-1-amine has a molecular weight of 258.19 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N,2,2-trimethylcyclobutan-1-amine is sourced from PubChem (CID 81418328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).