(1S)-N-[2-(2-methylpropoxy)ethyl]-1-thiophen-2-ylethanamine

C12H21NOS — CID 106452323

IUPAC(1S)-N-[2-(2-methylpropoxy)ethyl]-1-thiophen-2-ylethanamine
SMILESCC(C)COCCN[C@@H](C)c1cccs1
InChIInChI=1S/C12H21NOS/c1-10(2)9-14-7-6-13-11(3)12-5-4-8-15-12/h4-5,8,10-11,13H,6-7,9H2,1-3H3/t11-/m0/s1
InChIKeyREGDVOWDOYRMLS-NSHDSACASA-N
MW227.37 g/mol
LogP3.07
Rot. Bonds7

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

(1S)-N-[2-(2-methylpropoxy)ethyl]-1-thiophen-2-ylethanamine (PubChem CID 106452323) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is (1S)-N-[2-(2-methylpropoxy)ethyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[2-(2-methylpropoxy)ethyl]-1-thiophen-2-ylethanamine
PubChem CID106452323
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name(1S)-N-[2-(2-methylpropoxy)ethyl]-1-thiophen-2-ylethanamine
SMILESCC(C)COCCN[C@@H](C)c1cccs1
InChIInChI=1S/C12H21NOS/c1-10(2)9-14-7-6-13-11(3)12-5-4-8-15-12/h4-5,8,10-11,13H,6-7,9H2,1-3H3/t11-/m0/s1
InChIKeyREGDVOWDOYRMLS-NSHDSACASA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S)-N-[2-(2-methylpropoxy)ethyl]-1-thiophen-2-ylethanamine 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

2-[2-[[(1S)-1-thiophen-2-ylethyl]amino]ethoxy]ethanol
CID 28727459
(1S)-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-thiophen-2-ylethanamine
CID 104562673
N-[2-(cyclopropylmethoxy)ethyl]-1-thiophen-2-ylethanamine
CID 62598016
1-(2-methylpropoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 81408465
N-[2-(3-phenylpropoxy)ethyl]-1-thiophen-2-ylethanamine
CID 62584246
1-(2-methylpropoxy)-N-(1-thiophen-2-ylethyl)propan-2-amine
CID 115889318
1-thiophen-2-yl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]ethanamine
CID 66276843
4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentan-1-amine
CID 83156028
2-(1-thiophen-2-ylethylamino)ethanol
CID 43151185
1-(5-ethylthiophen-2-yl)-N-[2-(2-methylpropoxy)ethyl]ethanamine
CID 115713770
(1S)-N-[2-(4-bromophenoxy)ethyl]-1-thiophen-2-ylethanamine
CID 81408946
N-[cyclopropyl(thiophen-2-yl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 54982977

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[2-(2-methylpropoxy)ethyl]-1-thiophen-2-ylethanamine?
The IUPAC name of (1S)-N-[2-(2-methylpropoxy)ethyl]-1-thiophen-2-ylethanamine (CID 106452323) is (1S)-N-[2-(2-methylpropoxy)ethyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for (1S)-N-[2-(2-methylpropoxy)ethyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for (1S)-N-[2-(2-methylpropoxy)ethyl]-1-thiophen-2-ylethanamine is CC(C)COCCN[C@@H](C)c1cccs1.
What is the InChIKey of (1S)-N-[2-(2-methylpropoxy)ethyl]-1-thiophen-2-ylethanamine?
The InChIKey is REGDVOWDOYRMLS-NSHDSACASA-N. The full InChI is InChI=1S/C12H21NOS/c1-10(2)9-14-7-6-13-11(3)12-5-4-8-15-12/h4-5,8,10-11,13H,6-7,9H2,1-3H3/t11-/m0/s1.
What are the key properties of (1S)-N-[2-(2-methylpropoxy)ethyl]-1-thiophen-2-ylethanamine?
(1S)-N-[2-(2-methylpropoxy)ethyl]-1-thiophen-2-ylethanamine has a molecular weight of 227.37 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[2-(2-methylpropoxy)ethyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 106452323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).