N-[[2-(2,3-dichlorophenyl)-2-methylcyclopropyl]methyl]propan-1-amine

C14H19Cl2N — CID 114079793

IUPACN-[[2-(2,3-dichlorophenyl)-2-methylcyclopropyl]methyl]propan-1-amine
SMILESCCCNCC1CC1(C)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H19Cl2N/c1-3-7-17-9-10-8-14(10,2)11-5-4-6-12(15)13(11)16/h4-6,10,17H,3,7-9H2,1-2H3
InChIKeyABGSWRYIWIQYEU-UHFFFAOYSA-N
MW272.22 g/mol
LogP4.27
Rot. Bonds5

About N-[[2-(2,3-dichlorophenyl)-2-methylcyclopropyl]methyl]propan-1-amine

N-[[2-(2,3-dichlorophenyl)-2-methylcyclopropyl]methyl]propan-1-amine (PubChem CID 114079793) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is N-[[2-(2,3-dichlorophenyl)-2-methylcyclopropyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2,3-dichlorophenyl)-2-methylcyclopropyl]methyl]propan-1-amine
PubChem CID114079793
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC NameN-[[2-(2,3-dichlorophenyl)-2-methylcyclopropyl]methyl]propan-1-amine
SMILESCCCNCC1CC1(C)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H19Cl2N/c1-3-7-17-9-10-8-14(10,2)11-5-4-6-12(15)13(11)16/h4-6,10,17H,3,7-9H2,1-2H3
InChIKeyABGSWRYIWIQYEU-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3-dichlorophenyl)-2-methylcyclopropyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2,3-dichlorophenyl)-2-methylcyclopropyl]methyl]propan-1-amine (CID 114079793) is N-[[2-(2,3-dichlorophenyl)-2-methylcyclopropyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2,3-dichlorophenyl)-2-methylcyclopropyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2,3-dichlorophenyl)-2-methylcyclopropyl]methyl]propan-1-amine is CCCNCC1CC1(C)c1cccc(Cl)c1Cl.
What is the InChIKey of N-[[2-(2,3-dichlorophenyl)-2-methylcyclopropyl]methyl]propan-1-amine?
The InChIKey is ABGSWRYIWIQYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N/c1-3-7-17-9-10-8-14(10,2)11-5-4-6-12(15)13(11)16/h4-6,10,17H,3,7-9H2,1-2H3.
What are the key properties of N-[[2-(2,3-dichlorophenyl)-2-methylcyclopropyl]methyl]propan-1-amine?
N-[[2-(2,3-dichlorophenyl)-2-methylcyclopropyl]methyl]propan-1-amine has a molecular weight of 272.22 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,3-dichlorophenyl)-2-methylcyclopropyl]methyl]propan-1-amine is sourced from PubChem (CID 114079793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).