N-[2-(7-methoxy-1-benzothiophen-3-yl)ethyl]cyclopropanamine

C14H17NOS — CID 81048555

IUPACN-[2-(7-methoxy-1-benzothiophen-3-yl)ethyl]cyclopropanamine
SMILESCOc1cccc2c(CCNC3CC3)csc12
InChIInChI=1S/C14H17NOS/c1-16-13-4-2-3-12-10(9-17-14(12)13)7-8-15-11-5-6-11/h2-4,9,11,15H,5-8H2,1H3
InChIKeyUZEGSLUNONAHRX-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.20
Rot. Bonds5

About N-[2-(7-methoxy-1-benzothiophen-3-yl)ethyl]cyclopropanamine

N-[2-(7-methoxy-1-benzothiophen-3-yl)ethyl]cyclopropanamine (PubChem CID 81048555) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is N-[2-(7-methoxy-1-benzothiophen-3-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(7-methoxy-1-benzothiophen-3-yl)ethyl]cyclopropanamine
PubChem CID81048555
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC NameN-[2-(7-methoxy-1-benzothiophen-3-yl)ethyl]cyclopropanamine
SMILESCOc1cccc2c(CCNC3CC3)csc12
InChIInChI=1S/C14H17NOS/c1-16-13-4-2-3-12-10(9-17-14(12)13)7-8-15-11-5-6-11/h2-4,9,11,15H,5-8H2,1H3
InChIKeyUZEGSLUNONAHRX-UHFFFAOYSA-N
XLogP3.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(7-methoxy-1-benzothiophen-3-yl)ethyl]-2-methylpropan-1-amine
CID 81048737
N-[2-(2,6-dimethoxyphenoxy)ethyl]cyclopropanamine
CID 29015300
N-[2-(5,6-dimethyl-1-benzothiophen-3-yl)ethyl]cyclopropanamine
CID 81047286
4-tert-butyl-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 783786
N-[3-(7-methoxy-1-methylindol-3-yl)propyl]cyclopropanamine
CID 98032946
N-[2-(7-methoxy-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine
CID 96677257
N-[2-(2,4-dimethoxyphenyl)ethyl]cyclopropanamine
CID 62801628
N-[2-(2-methoxyphenyl)ethyl]-1-methylpiperidin-4-amine
CID 113218952
N-[2-(5,7-difluoro-1-benzothiophen-3-yl)ethyl]cyclopropanamine
CID 81048547
3-N-[2-(2-methoxyphenyl)ethyl]cyclopentane-1,3-diamine
CID 114165383
N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-[3-[2-(cyclopropylamino)ethyl]-5-methoxy-1-benzothiophen-7-yl]cyclopropan-1-amine
CID 170100413
N-[(2,3-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 17295654

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methoxy-1-benzothiophen-3-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(7-methoxy-1-benzothiophen-3-yl)ethyl]cyclopropanamine (CID 81048555) is N-[2-(7-methoxy-1-benzothiophen-3-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(7-methoxy-1-benzothiophen-3-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(7-methoxy-1-benzothiophen-3-yl)ethyl]cyclopropanamine is COc1cccc2c(CCNC3CC3)csc12.
What is the InChIKey of N-[2-(7-methoxy-1-benzothiophen-3-yl)ethyl]cyclopropanamine?
The InChIKey is UZEGSLUNONAHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-16-13-4-2-3-12-10(9-17-14(12)13)7-8-15-11-5-6-11/h2-4,9,11,15H,5-8H2,1H3.
What are the key properties of N-[2-(7-methoxy-1-benzothiophen-3-yl)ethyl]cyclopropanamine?
N-[2-(7-methoxy-1-benzothiophen-3-yl)ethyl]cyclopropanamine has a molecular weight of 247.36 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methoxy-1-benzothiophen-3-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 81048555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).