N-[(4-cyclopropyl-5-methylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine

C11H14F3NS — CID 114749156

IUPACN-[(4-cyclopropyl-5-methylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine
SMILESCc1scc(CNCC(F)(F)F)c1C1CC1
InChIInChI=1S/C11H14F3NS/c1-7-10(8-2-3-8)9(5-16-7)4-15-6-11(12,13)14/h5,8,15H,2-4,6H2,1H3
InChIKeyMBWZDWLEVLAZLQ-UHFFFAOYSA-N
MW249.30 g/mol
LogP3.59
Rot. Bonds4

About N-[(4-cyclopropyl-5-methylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine

N-[(4-cyclopropyl-5-methylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine (PubChem CID 114749156) has the molecular formula C11H14F3NS and a molecular weight of 249.30 g/mol. Its IUPAC name is N-[(4-cyclopropyl-5-methylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[(4-cyclopropyl-5-methylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine
PubChem CID114749156
Molecular FormulaC11H14F3NS
Molecular Weight249.30 g/mol
Exact Mass249.08
IUPAC NameN-[(4-cyclopropyl-5-methylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine
SMILESCc1scc(CNCC(F)(F)F)c1C1CC1
InChIInChI=1S/C11H14F3NS/c1-7-10(8-2-3-8)9(5-16-7)4-15-6-11(12,13)14/h5,8,15H,2-4,6H2,1H3
InChIKeyMBWZDWLEVLAZLQ-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-cyclopropyl-5-methylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine with MolForge

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Related Compounds

3-methyl-4H,5H,6H,7H-thieno(3,2-c)pyridine hydrochloride
CID 155977909
3-methyl-4H,5H,6H,7H-thieno[3,2-c]pyridine
CID 18377318
N'-[[5-(trifluoromethyl)thiophen-3-yl]methyl]ethane-1,2-diamine
CID 70458054
N-[1-(3,5-dimethylthiophen-2-yl)ethenyl]-2,2-difluoropropan-1-amine
CID 130216957
N-methyl-2-[2-propyl-4-(trifluoromethyl)thiophen-3-yl]propan-1-amine
CID 132196132
N'-[(3-fluoro-4-methylthiophen-2-yl)methyl]-N-methylethane-1,2-diamine
CID 134343320
N-[1-[2,4-dimethyl-5-[(prop-1-en-2-ylamino)methyl]thiophen-3-yl]ethenyl]-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 137383374
N-methyl-1-[3-(trifluoromethyl)thiophen-2-yl]methanamine
CID 155014866
1-(5-fluoro-3-methyl-4,5-dihydro-1-benzothiophen-2-yl)-N-methylmethanamine
CID 163485688
ethane;(1R)-N-methyl-1-[4-(trifluoromethyl)thiophen-2-yl]ethanamine
CID 168232277
2,2,2-trifluoro-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 24694465
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,2,2-trifluoroethanamine
CID 43200476

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropyl-5-methylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[(4-cyclopropyl-5-methylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine (CID 114749156) is N-[(4-cyclopropyl-5-methylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[(4-cyclopropyl-5-methylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[(4-cyclopropyl-5-methylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine is Cc1scc(CNCC(F)(F)F)c1C1CC1.
What is the InChIKey of N-[(4-cyclopropyl-5-methylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine?
The InChIKey is MBWZDWLEVLAZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NS/c1-7-10(8-2-3-8)9(5-16-7)4-15-6-11(12,13)14/h5,8,15H,2-4,6H2,1H3.
What are the key properties of N-[(4-cyclopropyl-5-methylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine?
N-[(4-cyclopropyl-5-methylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine has a molecular weight of 249.30 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropyl-5-methylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 114749156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).