N-[(3-chloro-4-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine

C15H17ClFNS — CID 82875015

IUPACN-[(3-chloro-4-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(Cl)c1)c1sc(C)cc1C
InChIInChI=1S/C15H17ClFNS/c1-4-18-14(15-9(2)7-10(3)19-15)11-5-6-13(17)12(16)8-11/h5-8,14,18H,4H2,1-3H3
InChIKeyUJKQTBCNENAYMF-UHFFFAOYSA-N
MW297.83 g/mol
LogP4.86
Rot. Bonds4

About N-[(3-chloro-4-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine

N-[(3-chloro-4-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine (PubChem CID 82875015) has the molecular formula C15H17ClFNS and a molecular weight of 297.83 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine
PubChem CID82875015
Molecular FormulaC15H17ClFNS
Molecular Weight297.83 g/mol
Exact Mass297.08
IUPAC NameN-[(3-chloro-4-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(Cl)c1)c1sc(C)cc1C
InChIInChI=1S/C15H17ClFNS/c1-4-18-14(15-9(2)7-10(3)19-15)11-5-6-13(17)12(16)8-11/h5-8,14,18H,4H2,1-3H3
InChIKeyUJKQTBCNENAYMF-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-chloro-4-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

N-[(3-bromo-4-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 107950801
N-[(3,5-dimethylthiophen-2-yl)-(3-fluorophenyl)methyl]ethanamine
CID 81156037
N-[(2-chloro-6-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 81155515
N-[(3-chloro-4-fluorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 63418615
N-[(3-chlorothiophen-2-yl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 80529223
N-[(3-chloro-4-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 82875565
N-[(3-chloro-4-fluorophenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 115374528
N-[(3,5-dibromophenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 107979894
1-(3,4-dichlorophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 81155759
N-[(3-chloro-4-fluorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine
CID 82872461
N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 43492849
N-[(4-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43488972

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine (CID 82875015) is N-[(3-chloro-4-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine is CCNC(c1ccc(F)c(Cl)c1)c1sc(C)cc1C.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine?
The InChIKey is UJKQTBCNENAYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNS/c1-4-18-14(15-9(2)7-10(3)19-15)11-5-6-13(17)12(16)8-11/h5-8,14,18H,4H2,1-3H3.
What are the key properties of N-[(3-chloro-4-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine?
N-[(3-chloro-4-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine has a molecular weight of 297.83 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 82875015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).