N-[(3-chlorothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methyl]propan-1-amine

C15H16ClF2NOS — CID 80528847

IUPACN-[(3-chlorothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methyl]propan-1-amine
SMILESCCCNC(c1ccccc1OC(F)F)c1sccc1Cl
InChIInChI=1S/C15H16ClF2NOS/c1-2-8-19-13(14-11(16)7-9-21-14)10-5-3-4-6-12(10)20-15(17)18/h3-7,9,13,15,19H,2,8H2,1H3
InChIKeyXNTBOOICOIDEOD-UHFFFAOYSA-N
MW331.82 g/mol
LogP5.09
Rot. Bonds7

About N-[(3-chlorothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methyl]propan-1-amine

N-[(3-chlorothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methyl]propan-1-amine (PubChem CID 80528847) has the molecular formula C15H16ClF2NOS and a molecular weight of 331.82 g/mol. Its IUPAC name is N-[(3-chlorothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-chlorothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methyl]propan-1-amine
PubChem CID80528847
Molecular FormulaC15H16ClF2NOS
Molecular Weight331.82 g/mol
Exact Mass331.06
IUPAC NameN-[(3-chlorothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methyl]propan-1-amine
SMILESCCCNC(c1ccccc1OC(F)F)c1sccc1Cl
InChIInChI=1S/C15H16ClF2NOS/c1-2-8-19-13(14-11(16)7-9-21-14)10-5-3-4-6-12(10)20-15(17)18/h3-7,9,13,15,19H,2,8H2,1H3
InChIKeyXNTBOOICOIDEOD-UHFFFAOYSA-N
XLogP5.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.82
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-chlorothiophen-2-yl)-[2-(difluoromethoxy)phenyl]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

Related Compounds

N-[(3-chlorothiophen-2-yl)-(2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 105018339
N-[(2-chloro-3-fluorophenyl)-(3-chlorothiophen-2-yl)methyl]propan-1-amine
CID 81453511
N-[(2-bromophenyl)-(3-chlorothiophen-2-yl)methyl]propan-1-amine
CID 80529530
N-[(3-chlorothiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methyl]propan-1-amine
CID 80645045
N-[(3-chlorothiophen-2-yl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 81477482
N-[(3-chlorothiophen-2-yl)-phenylmethyl]propan-1-amine
CID 80529572
3-chloro-2-[chloro-[2-(difluoromethoxy)phenyl]methyl]thiophene
CID 80530289
N-[1-[2-(difluoromethoxy)phenyl]-2,2-difluoroethyl]propan-1-amine
CID 80604477
N-[(3-chlorothiophen-2-yl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 80529364
N-[(2-ethoxyphenyl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine
CID 115853680
N-[(3-chlorothiophen-2-yl)-(4-methoxy-2,5-dimethylphenyl)methyl]propan-1-amine
CID 105032918
N-[(3-chlorothiophen-2-yl)-quinoxalin-5-ylmethyl]propan-1-amine
CID 107361665

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[(3-chlorothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methyl]propan-1-amine (CID 80528847) is N-[(3-chlorothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[(3-chlorothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[(3-chlorothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methyl]propan-1-amine is CCCNC(c1ccccc1OC(F)F)c1sccc1Cl.
What is the InChIKey of N-[(3-chlorothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methyl]propan-1-amine?
The InChIKey is XNTBOOICOIDEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF2NOS/c1-2-8-19-13(14-11(16)7-9-21-14)10-5-3-4-6-12(10)20-15(17)18/h3-7,9,13,15,19H,2,8H2,1H3.
What are the key properties of N-[(3-chlorothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methyl]propan-1-amine?
N-[(3-chlorothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methyl]propan-1-amine has a molecular weight of 331.82 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 80528847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).