1-cyclopropyl-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]propan-2-amine

C14H18Cl2FN — CID 63989941

IUPAC1-cyclopropyl-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]propan-2-amine
SMILESCC(CC1CC1)NC(C)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C14H18Cl2FN/c1-8(7-10-3-4-10)18-9(2)13-11(15)5-6-12(17)14(13)16/h5-6,8-10,18H,3-4,7H2,1-2H3
InChIKeyIBKZEGQGCWSSNO-UHFFFAOYSA-N
MW290.21 g/mol
LogP4.97
Rot. Bonds5

About 1-cyclopropyl-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]propan-2-amine

1-cyclopropyl-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]propan-2-amine (PubChem CID 63989941) has the molecular formula C14H18Cl2FN and a molecular weight of 290.21 g/mol. Its IUPAC name is 1-cyclopropyl-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]propan-2-amine
PubChem CID63989941
Molecular FormulaC14H18Cl2FN
Molecular Weight290.21 g/mol
Exact Mass289.08
IUPAC Name1-cyclopropyl-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]propan-2-amine
SMILESCC(CC1CC1)NC(C)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C14H18Cl2FN/c1-8(7-10-3-4-10)18-9(2)13-11(15)5-6-12(17)14(13)16/h5-6,8-10,18H,3-4,7H2,1-2H3
InChIKeyIBKZEGQGCWSSNO-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.21
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 1-cyclopropyl-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]propan-2-amine?
The IUPAC name of 1-cyclopropyl-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]propan-2-amine (CID 63989941) is 1-cyclopropyl-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]propan-2-amine.
What is the SMILES notation for 1-cyclopropyl-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]propan-2-amine?
The canonical SMILES for 1-cyclopropyl-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]propan-2-amine is CC(CC1CC1)NC(C)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 1-cyclopropyl-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]propan-2-amine?
The InChIKey is IBKZEGQGCWSSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2FN/c1-8(7-10-3-4-10)18-9(2)13-11(15)5-6-12(17)14(13)16/h5-6,8-10,18H,3-4,7H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]propan-2-amine?
1-cyclopropyl-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]propan-2-amine has a molecular weight of 290.21 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]propan-2-amine is sourced from PubChem (CID 63989941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).