N-[2-(cyclopropylmethoxy)ethyl]-1-thiophen-2-ylethanamine

C12H19NOS — CID 62598016

IUPACN-[2-(cyclopropylmethoxy)ethyl]-1-thiophen-2-ylethanamine
SMILESCC(NCCOCC1CC1)c1cccs1
InChIInChI=1S/C12H19NOS/c1-10(12-3-2-8-15-12)13-6-7-14-9-11-4-5-11/h2-3,8,10-11,13H,4-7,9H2,1H3
InChIKeyPIDFTJBJXIYBND-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.83
Rot. Bonds7

About N-[2-(cyclopropylmethoxy)ethyl]-1-thiophen-2-ylethanamine

N-[2-(cyclopropylmethoxy)ethyl]-1-thiophen-2-ylethanamine (PubChem CID 62598016) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is N-[2-(cyclopropylmethoxy)ethyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[2-(cyclopropylmethoxy)ethyl]-1-thiophen-2-ylethanamine
PubChem CID62598016
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC NameN-[2-(cyclopropylmethoxy)ethyl]-1-thiophen-2-ylethanamine
SMILESCC(NCCOCC1CC1)c1cccs1
InChIInChI=1S/C12H19NOS/c1-10(12-3-2-8-15-12)13-6-7-14-9-11-4-5-11/h2-3,8,10-11,13H,4-7,9H2,1H3
InChIKeyPIDFTJBJXIYBND-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.83
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

(1S)-N-[2-(2-methylpropoxy)ethyl]-1-thiophen-2-ylethanamine
CID 106452323
(1S)-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-thiophen-2-ylethanamine
CID 104562673
N-[2-(cyclopropylmethoxy)ethyl]-1-phenylethanamine
CID 115638914
2-[2-[[(1S)-1-thiophen-2-ylethyl]amino]ethoxy]ethanol
CID 28727459
N-[2-(3-phenylpropoxy)ethyl]-1-thiophen-2-ylethanamine
CID 62584246
N-[2-(cyclopropylmethoxy)ethyl]-1-(furan-2-yl)ethanamine
CID 62598356
1-(2-bromophenyl)-N-[2-(cyclopropylmethoxy)ethyl]ethanamine
CID 113234990
N'-(cyclopropylmethyl)-N'-propan-2-yl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62556875
2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-thiophen-2-ylacetamide
CID 115286057
N'-(4-ethylcyclohexyl)-N'-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62556346
1-(1,3-benzothiazol-2-yl)-N-[2-(cyclopropylmethoxy)ethyl]ethanamine
CID 103782827
3-(cyclopropylmethoxy)-N-(1-phenylethyl)propan-1-amine
CID 43183021

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-1-thiophen-2-ylethanamine?
The IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-1-thiophen-2-ylethanamine (CID 62598016) is N-[2-(cyclopropylmethoxy)ethyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-[2-(cyclopropylmethoxy)ethyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for N-[2-(cyclopropylmethoxy)ethyl]-1-thiophen-2-ylethanamine is CC(NCCOCC1CC1)c1cccs1.
What is the InChIKey of N-[2-(cyclopropylmethoxy)ethyl]-1-thiophen-2-ylethanamine?
The InChIKey is PIDFTJBJXIYBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-10(12-3-2-8-15-12)13-6-7-14-9-11-4-5-11/h2-3,8,10-11,13H,4-7,9H2,1H3.
What are the key properties of N-[2-(cyclopropylmethoxy)ethyl]-1-thiophen-2-ylethanamine?
N-[2-(cyclopropylmethoxy)ethyl]-1-thiophen-2-ylethanamine has a molecular weight of 225.36 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethoxy)ethyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 62598016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).