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

C16H29NO3S — CID 104562673

IUPAC(1S)-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-thiophen-2-ylethanamine
SMILESCCCCOCCOCCOCCN[C@@H](C)c1cccs1
InChIInChI=1S/C16H29NO3S/c1-3-4-8-18-10-12-20-13-11-19-9-7-17-15(2)16-6-5-14-21-16/h5-6,14-15,17H,3-4,7-13H2,1-2H3/t15-/m0/s1
InChIKeyKBSOBDXHXMQGGV-HNNXBMFYSA-N
MW315.48 g/mol
LogP3.25
Rot. Bonds14

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

(1S)-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-thiophen-2-ylethanamine (PubChem CID 104562673) has the molecular formula C16H29NO3S and a molecular weight of 315.48 g/mol. Its IUPAC name is (1S)-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-thiophen-2-ylethanamine
PubChem CID104562673
Molecular FormulaC16H29NO3S
Molecular Weight315.48 g/mol
Exact Mass315.19
IUPAC Name(1S)-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-thiophen-2-ylethanamine
SMILESCCCCOCCOCCOCCN[C@@H](C)c1cccs1
InChIInChI=1S/C16H29NO3S/c1-3-4-8-18-10-12-20-13-11-19-9-7-17-15(2)16-6-5-14-21-16/h5-6,14-15,17H,3-4,7-13H2,1-2H3/t15-/m0/s1
InChIKeyKBSOBDXHXMQGGV-HNNXBMFYSA-N
XLogP3.25
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[[(1S)-1-thiophen-2-ylethyl]amino]ethoxy]ethanol
CID 28727459
N-[2-(3-phenylpropoxy)ethyl]-1-thiophen-2-ylethanamine
CID 62584246
(1S)-N-[2-(2-methylpropoxy)ethyl]-1-thiophen-2-ylethanamine
CID 106452323
N-[(1R)-1-thiophen-2-ylethyl]heptan-1-amine
CID 81398404
N-[2-(cyclopropylmethoxy)ethyl]-1-thiophen-2-ylethanamine
CID 62598016
2-butoxy-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
CID 61170868
(1S)-N-[2-(4-bromophenoxy)ethyl]-1-thiophen-2-ylethanamine
CID 81408946
1-thiophen-2-yl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]ethanamine
CID 66276843
2-[1-(2-butoxyethylamino)ethyl]phenol
CID 61171435
N-[2-(3,4-dimethylphenoxy)ethyl]-1-thiophen-2-ylethanamine
CID 55093036
4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentan-1-amine
CID 83156028
3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81408503

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-thiophen-2-ylethanamine?
The IUPAC name of (1S)-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-thiophen-2-ylethanamine (CID 104562673) is (1S)-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for (1S)-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for (1S)-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-thiophen-2-ylethanamine is CCCCOCCOCCOCCN[C@@H](C)c1cccs1.
What is the InChIKey of (1S)-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-thiophen-2-ylethanamine?
The InChIKey is KBSOBDXHXMQGGV-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H29NO3S/c1-3-4-8-18-10-12-20-13-11-19-9-7-17-15(2)16-6-5-14-21-16/h5-6,14-15,17H,3-4,7-13H2,1-2H3/t15-/m0/s1.
What are the key properties of (1S)-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-thiophen-2-ylethanamine?
(1S)-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-thiophen-2-ylethanamine has a molecular weight of 315.48 g/mol, XLogP of 3.25, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 104562673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).