N-[[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]methyl]propan-1-amine

C14H15ClFNS — CID 43287243

IUPACN-[[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2ccc(F)cc2Cl)s1
InChIInChI=1S/C14H15ClFNS/c1-2-7-17-9-11-4-6-14(18-11)12-5-3-10(16)8-13(12)15/h3-6,8,17H,2,7,9H2,1H3
InChIKeyVHNZGQQOXVQFES-UHFFFAOYSA-N
MW283.80 g/mol
LogP4.71
Rot. Bonds5

About N-[[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]methyl]propan-1-amine

N-[[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]methyl]propan-1-amine (PubChem CID 43287243) has the molecular formula C14H15ClFNS and a molecular weight of 283.80 g/mol. Its IUPAC name is N-[[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]methyl]propan-1-amine
PubChem CID43287243
Molecular FormulaC14H15ClFNS
Molecular Weight283.80 g/mol
Exact Mass283.06
IUPAC NameN-[[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2ccc(F)cc2Cl)s1
InChIInChI=1S/C14H15ClFNS/c1-2-7-17-9-11-4-6-14(18-11)12-5-3-10(16)8-13(12)15/h3-6,8,17H,2,7,9H2,1H3
InChIKeyVHNZGQQOXVQFES-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]methyl]propan-1-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-[[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]methyl]propan-1-amine (CID 43287243) is N-[[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]methyl]propan-1-amine is CCCNCc1ccc(-c2ccc(F)cc2Cl)s1.
What is the InChIKey of N-[[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]methyl]propan-1-amine?
The InChIKey is VHNZGQQOXVQFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNS/c1-2-7-17-9-11-4-6-14(18-11)12-5-3-10(16)8-13(12)15/h3-6,8,17H,2,7,9H2,1H3.
What are the key properties of N-[[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]methyl]propan-1-amine?
N-[[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]methyl]propan-1-amine has a molecular weight of 283.80 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 43287243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).