2-amino-N-[1-(2-bromophenyl)ethyl]-N-propylcyclopropane-1-carboxamide

C15H21BrN2O — CID 55035536

IUPAC2-amino-N-[1-(2-bromophenyl)ethyl]-N-propylcyclopropane-1-carboxamide
SMILESCCCN(C(=O)C1CC1N)C(C)c1ccccc1Br
InChIInChI=1S/C15H21BrN2O/c1-3-8-18(15(19)12-9-14(12)17)10(2)11-6-4-5-7-13(11)16/h4-7,10,12,14H,3,8-9,17H2,1-2H3
InChIKeyLCTCLIJDFKPFEK-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.10
Rot. Bonds5

About 2-amino-N-[1-(2-bromophenyl)ethyl]-N-propylcyclopropane-1-carboxamide

2-amino-N-[1-(2-bromophenyl)ethyl]-N-propylcyclopropane-1-carboxamide (PubChem CID 55035536) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 2-amino-N-[1-(2-bromophenyl)ethyl]-N-propylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[1-(2-bromophenyl)ethyl]-N-propylcyclopropane-1-carboxamide
PubChem CID55035536
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name2-amino-N-[1-(2-bromophenyl)ethyl]-N-propylcyclopropane-1-carboxamide
SMILESCCCN(C(=O)C1CC1N)C(C)c1ccccc1Br
InChIInChI=1S/C15H21BrN2O/c1-3-8-18(15(19)12-9-14(12)17)10(2)11-6-4-5-7-13(11)16/h4-7,10,12,14H,3,8-9,17H2,1-2H3
InChIKeyLCTCLIJDFKPFEK-UHFFFAOYSA-N
XLogP3.10
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2-bromophenyl)ethyl]-N-propylcyclopropane-1-carboxamide?
The IUPAC name of 2-amino-N-[1-(2-bromophenyl)ethyl]-N-propylcyclopropane-1-carboxamide (CID 55035536) is 2-amino-N-[1-(2-bromophenyl)ethyl]-N-propylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[1-(2-bromophenyl)ethyl]-N-propylcyclopropane-1-carboxamide?
The canonical SMILES for 2-amino-N-[1-(2-bromophenyl)ethyl]-N-propylcyclopropane-1-carboxamide is CCCN(C(=O)C1CC1N)C(C)c1ccccc1Br.
What is the InChIKey of 2-amino-N-[1-(2-bromophenyl)ethyl]-N-propylcyclopropane-1-carboxamide?
The InChIKey is LCTCLIJDFKPFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-3-8-18(15(19)12-9-14(12)17)10(2)11-6-4-5-7-13(11)16/h4-7,10,12,14H,3,8-9,17H2,1-2H3.
What are the key properties of 2-amino-N-[1-(2-bromophenyl)ethyl]-N-propylcyclopropane-1-carboxamide?
2-amino-N-[1-(2-bromophenyl)ethyl]-N-propylcyclopropane-1-carboxamide has a molecular weight of 325.25 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2-bromophenyl)ethyl]-N-propylcyclopropane-1-carboxamide is sourced from PubChem (CID 55035536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).