1-[2-(5-fluoro-1-benzothiophen-2-yl)ethyl]cyclopropan-1-amine

C13H14FNS — CID 105496556

IUPAC1-[2-(5-fluoro-1-benzothiophen-2-yl)ethyl]cyclopropan-1-amine
SMILESNC1(CCc2cc3cc(F)ccc3s2)CC1
InChIInChI=1S/C13H14FNS/c14-10-1-2-12-9(7-10)8-11(16-12)3-4-13(15)5-6-13/h1-2,7-8H,3-6,15H2
InChIKeyRYEMALBXQCQKJP-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.46
Rot. Bonds3

About 1-[2-(5-fluoro-1-benzothiophen-2-yl)ethyl]cyclopropan-1-amine

1-[2-(5-fluoro-1-benzothiophen-2-yl)ethyl]cyclopropan-1-amine (PubChem CID 105496556) has the molecular formula C13H14FNS and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[2-(5-fluoro-1-benzothiophen-2-yl)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(5-fluoro-1-benzothiophen-2-yl)ethyl]cyclopropan-1-amine
PubChem CID105496556
Molecular FormulaC13H14FNS
Molecular Weight235.33 g/mol
Exact Mass235.08
IUPAC Name1-[2-(5-fluoro-1-benzothiophen-2-yl)ethyl]cyclopropan-1-amine
SMILESNC1(CCc2cc3cc(F)ccc3s2)CC1
InChIInChI=1S/C13H14FNS/c14-10-1-2-12-9(7-10)8-11(16-12)3-4-13(15)5-6-13/h1-2,7-8H,3-6,15H2
InChIKeyRYEMALBXQCQKJP-UHFFFAOYSA-N
XLogP3.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(5-fluoro-1-benzothiophen-2-yl)ethyl]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

1-[2-(6-fluoroquinolin-3-yl)ethyl]cyclopropan-1-amine
CID 105488113
(5-fluoro-1-benzothiophen-2-yl)methanol
CID 36995594
2-[2-(1-aminocyclopropyl)ethyl]-5-fluorophenol
CID 105448984
1-[2-(4-fluorophenyl)ethyl]cyclopropan-1-amine
CID 67420694
2-(ethylsulfanylmethyl)-5-fluoro-1-benzothiophene
CID 117176433
5-fluoro-2-[(4-methoxyphenoxy)methyl]-1-benzothiophene
CID 117176407
3-(5-fluoro-1-benzothiophen-2-yl)-2,2-dimethylpropanoic acid
CID 117195222
3-[3-amino-1-(5-fluoro-1-benzothiophene-2-carbonyl)azetidin-3-yl]propanal
CID 137468518
1-[(5-fluoro-1-benzothiophen-2-yl)methyl]-3-propan-2-ylurea
CID 60562795
6-[2-(1-aminocyclopropyl)ethyl]-1,3-benzoxathiol-2-one
CID 105496526
1-(2-thieno[3,2-d][1,3]oxazol-5-ylethyl)cyclopropan-1-amine
CID 105462106
2-[(4-bromonaphthalen-2-yl)methyl]-5-fluoro-1-benzothiophene
CID 67156577

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-fluoro-1-benzothiophen-2-yl)ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(5-fluoro-1-benzothiophen-2-yl)ethyl]cyclopropan-1-amine (CID 105496556) is 1-[2-(5-fluoro-1-benzothiophen-2-yl)ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(5-fluoro-1-benzothiophen-2-yl)ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(5-fluoro-1-benzothiophen-2-yl)ethyl]cyclopropan-1-amine is NC1(CCc2cc3cc(F)ccc3s2)CC1.
What is the InChIKey of 1-[2-(5-fluoro-1-benzothiophen-2-yl)ethyl]cyclopropan-1-amine?
The InChIKey is RYEMALBXQCQKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNS/c14-10-1-2-12-9(7-10)8-11(16-12)3-4-13(15)5-6-13/h1-2,7-8H,3-6,15H2.
What are the key properties of 1-[2-(5-fluoro-1-benzothiophen-2-yl)ethyl]cyclopropan-1-amine?
1-[2-(5-fluoro-1-benzothiophen-2-yl)ethyl]cyclopropan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-fluoro-1-benzothiophen-2-yl)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 105496556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).