1-(3-chloro-4-fluorophenyl)-N-ethyl-5-thiophen-2-ylpentan-2-amine

C17H21ClFNS — CID 103043140

IUPAC1-(3-chloro-4-fluorophenyl)-N-ethyl-5-thiophen-2-ylpentan-2-amine
SMILESCCNC(CCCc1cccs1)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H21ClFNS/c1-2-20-14(5-3-6-15-7-4-10-21-15)11-13-8-9-17(19)16(18)12-13/h4,7-10,12,14,20H,2-3,5-6,11H2,1H3
InChIKeyBFRYJHCRFFRVHM-UHFFFAOYSA-N
MW325.88 g/mol
LogP5.08
Rot. Bonds8

About 1-(3-chloro-4-fluorophenyl)-N-ethyl-5-thiophen-2-ylpentan-2-amine

1-(3-chloro-4-fluorophenyl)-N-ethyl-5-thiophen-2-ylpentan-2-amine (PubChem CID 103043140) has the molecular formula C17H21ClFNS and a molecular weight of 325.88 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-N-ethyl-5-thiophen-2-ylpentan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-N-ethyl-5-thiophen-2-ylpentan-2-amine
PubChem CID103043140
Molecular FormulaC17H21ClFNS
Molecular Weight325.88 g/mol
Exact Mass325.11
IUPAC Name1-(3-chloro-4-fluorophenyl)-N-ethyl-5-thiophen-2-ylpentan-2-amine
SMILESCCNC(CCCc1cccs1)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H21ClFNS/c1-2-20-14(5-3-6-15-7-4-10-21-15)11-13-8-9-17(19)16(18)12-13/h4,7-10,12,14,20H,2-3,5-6,11H2,1H3
InChIKeyBFRYJHCRFFRVHM-UHFFFAOYSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.88
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-chloro-4-fluorophenyl)-N-ethyl-5-thiophen-2-ylpentan-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-(3-chloro-4-fluorophenyl)-N-ethyl-5-thiophen-2-ylpentan-2-amine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-ethyl-5-thiophen-2-ylpentan-2-amine (CID 103043140) is 1-(3-chloro-4-fluorophenyl)-N-ethyl-5-thiophen-2-ylpentan-2-amine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-N-ethyl-5-thiophen-2-ylpentan-2-amine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-N-ethyl-5-thiophen-2-ylpentan-2-amine is CCNC(CCCc1cccs1)Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-N-ethyl-5-thiophen-2-ylpentan-2-amine?
The InChIKey is BFRYJHCRFFRVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClFNS/c1-2-20-14(5-3-6-15-7-4-10-21-15)11-13-8-9-17(19)16(18)12-13/h4,7-10,12,14,20H,2-3,5-6,11H2,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-N-ethyl-5-thiophen-2-ylpentan-2-amine?
1-(3-chloro-4-fluorophenyl)-N-ethyl-5-thiophen-2-ylpentan-2-amine has a molecular weight of 325.88 g/mol, XLogP of 5.08, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-N-ethyl-5-thiophen-2-ylpentan-2-amine is sourced from PubChem (CID 103043140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).