N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-thiophen-3-ylethanamine

C12H21NOS — CID 112568339

IUPACN-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-thiophen-3-ylethanamine
SMILESCC(NCCOC(C)(C)C)c1ccsc1
InChIInChI=1S/C12H21NOS/c1-10(11-5-8-15-9-11)13-6-7-14-12(2,3)4/h5,8-10,13H,6-7H2,1-4H3
InChIKeySMXHVNJZVKMLIA-UHFFFAOYSA-N
MW227.37 g/mol
LogP3.21
Rot. Bonds5

About N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-thiophen-3-ylethanamine

N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-thiophen-3-ylethanamine (PubChem CID 112568339) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-thiophen-3-ylethanamine
PubChem CID112568339
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC NameN-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-thiophen-3-ylethanamine
SMILESCC(NCCOC(C)(C)C)c1ccsc1
InChIInChI=1S/C12H21NOS/c1-10(11-5-8-15-9-11)13-6-7-14-12(2,3)4/h5,8-10,13H,6-7H2,1-4H3
InChIKeySMXHVNJZVKMLIA-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 53.21
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-methoxyethyl)-1-thiophen-3-ylethanamine
CID 53274740
(1R)-1-(4-methylphenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
CID 113355515
3-propan-2-yloxy-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62089262
2,2-dimethyl-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62090002
1-(4-bromophenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
CID 112695735
tert-butyl N-[4-(1-thiophen-3-ylethylamino)butan-2-yl]carbamate
CID 103901749
2-[(2-methylpropan-2-yl)oxy]-N-(1-thiophen-3-ylethyl)acetamide
CID 112605150
3-(1-thiophen-3-ylethylamino)propan-1-ol
CID 53274757
N-(1-thiophen-3-ylethyl)decan-1-amine
CID 63491588
N',N'-dimethyl-N-(1-thiophen-3-ylethyl)propane-1,3-diamine
CID 53274606
N-(2-pyridin-4-ylethyl)-1-thiophen-3-ylethanamine
CID 62089117
2-[2-(1-thiophen-3-ylethylamino)ethoxy]benzoic acid
CID 103249717

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-thiophen-3-ylethanamine?
The IUPAC name of N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-thiophen-3-ylethanamine (CID 112568339) is N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-thiophen-3-ylethanamine.
What is the SMILES notation for N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-thiophen-3-ylethanamine?
The canonical SMILES for N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-thiophen-3-ylethanamine is CC(NCCOC(C)(C)C)c1ccsc1.
What is the InChIKey of N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-thiophen-3-ylethanamine?
The InChIKey is SMXHVNJZVKMLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-10(11-5-8-15-9-11)13-6-7-14-12(2,3)4/h5,8-10,13H,6-7H2,1-4H3.
What are the key properties of N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-thiophen-3-ylethanamine?
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-thiophen-3-ylethanamine has a molecular weight of 227.37 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-thiophen-3-ylethanamine is sourced from PubChem (CID 112568339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).