N-[cyclopropyl-[5-(2,4-difluorophenyl)thiophen-2-yl]methyl]propan-1-amine

C17H19F2NS — CID 43287494

IUPACN-[cyclopropyl-[5-(2,4-difluorophenyl)thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNC(c1ccc(-c2ccc(F)cc2F)s1)C1CC1
InChIInChI=1S/C17H19F2NS/c1-2-9-20-17(11-3-4-11)16-8-7-15(21-16)13-6-5-12(18)10-14(13)19/h5-8,10-11,17,20H,2-4,9H2,1H3
InChIKeyGTKWPLUKZRQGAN-UHFFFAOYSA-N
MW307.41 g/mol
LogP5.14
Rot. Bonds6

About N-[cyclopropyl-[5-(2,4-difluorophenyl)thiophen-2-yl]methyl]propan-1-amine

N-[cyclopropyl-[5-(2,4-difluorophenyl)thiophen-2-yl]methyl]propan-1-amine (PubChem CID 43287494) has the molecular formula C17H19F2NS and a molecular weight of 307.41 g/mol. Its IUPAC name is N-[cyclopropyl-[5-(2,4-difluorophenyl)thiophen-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclopropyl-[5-(2,4-difluorophenyl)thiophen-2-yl]methyl]propan-1-amine
PubChem CID43287494
Molecular FormulaC17H19F2NS
Molecular Weight307.41 g/mol
Exact Mass307.12
IUPAC NameN-[cyclopropyl-[5-(2,4-difluorophenyl)thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNC(c1ccc(-c2ccc(F)cc2F)s1)C1CC1
InChIInChI=1S/C17H19F2NS/c1-2-9-20-17(11-3-4-11)16-8-7-15(21-16)13-6-5-12(18)10-14(13)19/h5-8,10-11,17,20H,2-4,9H2,1H3
InChIKeyGTKWPLUKZRQGAN-UHFFFAOYSA-N
XLogP5.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.41
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[cyclopropyl-[5-(2,4-difluorophenyl)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

Related Compounds

N-[cyclopropyl-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]methyl]propan-1-amine
CID 63400645
N-[[5-(3-chloro-5-fluorophenyl)thiophen-2-yl]-cyclopropylmethyl]propan-1-amine
CID 107368903
N-[[5-(2-bromo-3-chlorophenyl)thiophen-2-yl]-cyclopropylmethyl]propan-1-amine
CID 103481065
N-[cyclopropyl-(5-pyrimidin-5-ylthiophen-2-yl)methyl]propan-1-amine
CID 107589464
N-[cyclobutyl-(2,4-difluorophenyl)methyl]propan-1-amine
CID 43496319
N-[cyclopropyl-[5-(3-fluoro-4-methylphenyl)thiophen-2-yl]methyl]ethanamine
CID 43287726
N-[cyclopropyl-[5-(2-propylphenyl)thiophen-2-yl]methyl]ethanamine
CID 63400483
N-[1-[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]ethyl]propan-1-amine
CID 43288225
N-[(2,4-difluorophenyl)-(thiolan-3-yl)methyl]propan-1-amine
CID 105143690
1-[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine
CID 43287835
N-[[5-(4-bromo-2-methylphenyl)thiophen-2-yl]-cyclopropylmethyl]ethanamine
CID 81287372
N-[cyclopropyl-(3-fluorophenyl)methyl]propan-1-amine
CID 60818901

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-[5-(2,4-difluorophenyl)thiophen-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[cyclopropyl-[5-(2,4-difluorophenyl)thiophen-2-yl]methyl]propan-1-amine (CID 43287494) is N-[cyclopropyl-[5-(2,4-difluorophenyl)thiophen-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[cyclopropyl-[5-(2,4-difluorophenyl)thiophen-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[cyclopropyl-[5-(2,4-difluorophenyl)thiophen-2-yl]methyl]propan-1-amine is CCCNC(c1ccc(-c2ccc(F)cc2F)s1)C1CC1.
What is the InChIKey of N-[cyclopropyl-[5-(2,4-difluorophenyl)thiophen-2-yl]methyl]propan-1-amine?
The InChIKey is GTKWPLUKZRQGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NS/c1-2-9-20-17(11-3-4-11)16-8-7-15(21-16)13-6-5-12(18)10-14(13)19/h5-8,10-11,17,20H,2-4,9H2,1H3.
What are the key properties of N-[cyclopropyl-[5-(2,4-difluorophenyl)thiophen-2-yl]methyl]propan-1-amine?
N-[cyclopropyl-[5-(2,4-difluorophenyl)thiophen-2-yl]methyl]propan-1-amine has a molecular weight of 307.41 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-[5-(2,4-difluorophenyl)thiophen-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 43287494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).