N-(cyclobutylmethyl)-1-(2,4-dichlorophenyl)-1-fluoropropan-2-amine

C14H18Cl2FN — CID 163651750

IUPACN-(cyclobutylmethyl)-1-(2,4-dichlorophenyl)-1-fluoropropan-2-amine
SMILESCC(NCC1CCC1)C(F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2FN/c1-9(18-8-10-3-2-4-10)14(17)12-6-5-11(15)7-13(12)16/h5-7,9-10,14,18H,2-4,8H2,1H3
InChIKeyIMUSXNQJKRSHRP-UHFFFAOYSA-N
MW290.21 g/mol
LogP4.78
Rot. Bonds5

About N-(cyclobutylmethyl)-1-(2,4-dichlorophenyl)-1-fluoropropan-2-amine

N-(cyclobutylmethyl)-1-(2,4-dichlorophenyl)-1-fluoropropan-2-amine (PubChem CID 163651750) has the molecular formula C14H18Cl2FN and a molecular weight of 290.21 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-1-(2,4-dichlorophenyl)-1-fluoropropan-2-amine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-1-(2,4-dichlorophenyl)-1-fluoropropan-2-amine
PubChem CID163651750
Molecular FormulaC14H18Cl2FN
Molecular Weight290.21 g/mol
Exact Mass289.08
IUPAC NameN-(cyclobutylmethyl)-1-(2,4-dichlorophenyl)-1-fluoropropan-2-amine
SMILESCC(NCC1CCC1)C(F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2FN/c1-9(18-8-10-3-2-4-10)14(17)12-6-5-11(15)7-13(12)16/h5-7,9-10,14,18H,2-4,8H2,1H3
InChIKeyIMUSXNQJKRSHRP-UHFFFAOYSA-N
XLogP4.78
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 ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(cyclobutylmethyl)-1-(2,4-dichlorophenyl)-1-fluoropropan-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 N-(cyclobutylmethyl)-1-(2,4-dichlorophenyl)-1-fluoropropan-2-amine?
The IUPAC name of N-(cyclobutylmethyl)-1-(2,4-dichlorophenyl)-1-fluoropropan-2-amine (CID 163651750) is N-(cyclobutylmethyl)-1-(2,4-dichlorophenyl)-1-fluoropropan-2-amine.
What is the SMILES notation for N-(cyclobutylmethyl)-1-(2,4-dichlorophenyl)-1-fluoropropan-2-amine?
The canonical SMILES for N-(cyclobutylmethyl)-1-(2,4-dichlorophenyl)-1-fluoropropan-2-amine is CC(NCC1CCC1)C(F)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-(cyclobutylmethyl)-1-(2,4-dichlorophenyl)-1-fluoropropan-2-amine?
The InChIKey is IMUSXNQJKRSHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2FN/c1-9(18-8-10-3-2-4-10)14(17)12-6-5-11(15)7-13(12)16/h5-7,9-10,14,18H,2-4,8H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-1-(2,4-dichlorophenyl)-1-fluoropropan-2-amine?
N-(cyclobutylmethyl)-1-(2,4-dichlorophenyl)-1-fluoropropan-2-amine has a molecular weight of 290.21 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-1-(2,4-dichlorophenyl)-1-fluoropropan-2-amine is sourced from PubChem (CID 163651750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).