N-[(5-bromothiophen-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine

C9H9BrF3NS — CID 106210234

IUPACN-[(5-bromothiophen-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESFC(F)(F)C1(NCc2ccc(Br)s2)CC1
InChIInChI=1S/C9H9BrF3NS/c10-7-2-1-6(15-7)5-14-8(3-4-8)9(11,12)13/h1-2,14H,3-5H2
InChIKeyXNTRGCMTIKRKCY-UHFFFAOYSA-N
MW300.14 g/mol
LogP3.70
Rot. Bonds3

About N-[(5-bromothiophen-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine

N-[(5-bromothiophen-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine (PubChem CID 106210234) has the molecular formula C9H9BrF3NS and a molecular weight of 300.14 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
PubChem CID106210234
Molecular FormulaC9H9BrF3NS
Molecular Weight300.14 g/mol
Exact Mass298.96
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESFC(F)(F)C1(NCc2ccc(Br)s2)CC1
InChIInChI=1S/C9H9BrF3NS/c10-7-2-1-6(15-7)5-14-8(3-4-8)9(11,12)13/h1-2,14H,3-5H2
InChIKeyXNTRGCMTIKRKCY-UHFFFAOYSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5-bromothiophen-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-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-[(5-bromothiophen-2-yl)methyl]-1-methylcyclopentan-1-amine
CID 61365000
N-[(5-bromothiophen-2-yl)methyl]-1-(chloromethyl)cyclohexan-1-amine
CID 65024610
1-(5-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]methanamine
CID 61011766
N-[1-(5-bromothiophen-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210270
N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106212426
1-amino-N-[(5-bromothiophen-2-yl)methyl]cyclobutane-1-carboxamide
CID 81173121
N-[(5-bromothiophen-2-yl)methyl]-4-(difluoromethoxy)aniline
CID 28623913
N-[(5-bromothiophen-2-yl)methyl]oxetan-3-amine
CID 63624209
2-[(5-bromothiophen-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60957963
3-bromo-N-[(5-bromothiophen-2-yl)methyl]-5-(trifluoromethyl)aniline
CID 65491992
N-(1-benzothiophen-3-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine
CID 114158577
N-[(5-bromothiophen-2-yl)methyl]piperidin-1-amine
CID 83007755

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine (CID 106210234) is N-[(5-bromothiophen-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine is FC(F)(F)C1(NCc2ccc(Br)s2)CC1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The InChIKey is XNTRGCMTIKRKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF3NS/c10-7-2-1-6(15-7)5-14-8(3-4-8)9(11,12)13/h1-2,14H,3-5H2.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
N-[(5-bromothiophen-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine has a molecular weight of 300.14 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine is sourced from PubChem (CID 106210234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).