3-methoxy-N-(2-thiophen-2-ylethyl)propan-1-amine

C10H17NOS — CID 60925441

IUPAC3-methoxy-N-(2-thiophen-2-ylethyl)propan-1-amine
SMILESCOCCCNCCc1cccs1
InChIInChI=1S/C10H17NOS/c1-12-8-3-6-11-7-5-10-4-2-9-13-10/h2,4,9,11H,3,5-8H2,1H3
InChIKeyIPPVZYMRSSLWIM-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.92
Rot. Bonds7

About 3-methoxy-N-(2-thiophen-2-ylethyl)propan-1-amine

3-methoxy-N-(2-thiophen-2-ylethyl)propan-1-amine (PubChem CID 60925441) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 3-methoxy-N-(2-thiophen-2-ylethyl)propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-(2-thiophen-2-ylethyl)propan-1-amine
PubChem CID60925441
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name3-methoxy-N-(2-thiophen-2-ylethyl)propan-1-amine
SMILESCOCCCNCCc1cccs1
InChIInChI=1S/C10H17NOS/c1-12-8-3-6-11-7-5-10-4-2-9-13-10/h2,4,9,11H,3,5-8H2,1H3
InChIKeyIPPVZYMRSSLWIM-UHFFFAOYSA-N
XLogP1.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-2-thiophen-2-ylethanamine
CID 62598944
N'-ethyl-N-(3-methoxypropyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 55089552
3-(2-chloroethoxy)-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 106306224
2-(8-methoxyoctyl)thiophene
CID 139537837
N'-cyclopropyl-N-(3-methoxypropyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62556546
N-[2-(3-methoxyphenoxy)ethyl]-2-thiophen-2-ylethanamine
CID 62572275
N-ethyl-3-(2-thiophen-2-ylethoxy)propan-1-amine
CID 62485827
N-[2-(2-propoxyethoxy)ethyl]-2-thiophen-2-ylethanamine
CID 63685883
(2S)-1-methoxy-N-(2-thiophen-2-ylethyl)propan-2-amine
CID 94472999
N-methyl-N'-(2-thiophen-2-ylethyl)methanediamine
CID 115227113
N'-ethyl-N'-(1-methoxypropan-2-yl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62555499
N-butyl-4-thiophen-2-ylbutan-1-amine
CID 60984563

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-thiophen-2-ylethyl)propan-1-amine?
The IUPAC name of 3-methoxy-N-(2-thiophen-2-ylethyl)propan-1-amine (CID 60925441) is 3-methoxy-N-(2-thiophen-2-ylethyl)propan-1-amine.
What is the SMILES notation for 3-methoxy-N-(2-thiophen-2-ylethyl)propan-1-amine?
The canonical SMILES for 3-methoxy-N-(2-thiophen-2-ylethyl)propan-1-amine is COCCCNCCc1cccs1.
What is the InChIKey of 3-methoxy-N-(2-thiophen-2-ylethyl)propan-1-amine?
The InChIKey is IPPVZYMRSSLWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-12-8-3-6-11-7-5-10-4-2-9-13-10/h2,4,9,11H,3,5-8H2,1H3.
What are the key properties of 3-methoxy-N-(2-thiophen-2-ylethyl)propan-1-amine?
3-methoxy-N-(2-thiophen-2-ylethyl)propan-1-amine has a molecular weight of 199.32 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2-thiophen-2-ylethyl)propan-1-amine is sourced from PubChem (CID 60925441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).