4-chloro-1-methoxy-N-(2-thiophen-2-ylethyl)butan-2-amine

C11H18ClNOS — CID 106152704

IUPAC4-chloro-1-methoxy-N-(2-thiophen-2-ylethyl)butan-2-amine
SMILESCOCC(CCCl)NCCc1cccs1
InChIInChI=1S/C11H18ClNOS/c1-14-9-10(4-6-12)13-7-5-11-3-2-8-15-11/h2-3,8,10,13H,4-7,9H2,1H3
InChIKeyXICOHNYDOHGYPZ-UHFFFAOYSA-N
MW247.79 g/mol
LogP2.52
Rot. Bonds8

About 4-chloro-1-methoxy-N-(2-thiophen-2-ylethyl)butan-2-amine

4-chloro-1-methoxy-N-(2-thiophen-2-ylethyl)butan-2-amine (PubChem CID 106152704) has the molecular formula C11H18ClNOS and a molecular weight of 247.79 g/mol. Its IUPAC name is 4-chloro-1-methoxy-N-(2-thiophen-2-ylethyl)butan-2-amine.

Molecular Properties

Compound Name4-chloro-1-methoxy-N-(2-thiophen-2-ylethyl)butan-2-amine
PubChem CID106152704
Molecular FormulaC11H18ClNOS
Molecular Weight247.79 g/mol
Exact Mass247.08
IUPAC Name4-chloro-1-methoxy-N-(2-thiophen-2-ylethyl)butan-2-amine
SMILESCOCC(CCCl)NCCc1cccs1
InChIInChI=1S/C11H18ClNOS/c1-14-9-10(4-6-12)13-7-5-11-3-2-8-15-11/h2-3,8,10,13H,4-7,9H2,1H3
InChIKeyXICOHNYDOHGYPZ-UHFFFAOYSA-N
XLogP2.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.79
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-N-propyl-5-thiophen-2-ylpentan-2-amine
CID 63775708
(2S)-1-methoxy-N-(2-thiophen-2-ylethyl)propan-2-amine
CID 94472999
4-chloro-1-methoxy-N-(2-thiophen-3-ylethyl)butan-2-amine
CID 106152449
4-chloro-1-methoxy-N-(4-phenylbutyl)butan-2-amine
CID 114150757
3-methoxy-2-(2-thiophen-2-ylethylamino)propanoic acid
CID 103235533
1-chloro-N-(2-thiophen-2-ylethyl)propan-2-amine
CID 65025687
(2R)-1-methoxy-N-(thiophen-2-ylmethyl)butan-2-amine
CID 95366277
3-methoxy-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 60925441
N-ethyl-1-propoxy-4-thiophen-2-ylbutan-2-amine
CID 63775940
(6-methoxy-5-methyl-1-thiophen-2-ylhexan-3-yl)hydrazine
CID 105308985
4-chloro-1-methoxy-N-[2-(2-methoxyethoxy)ethyl]butan-2-amine
CID 106152336
2-chloro-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 65024360

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methoxy-N-(2-thiophen-2-ylethyl)butan-2-amine?
The IUPAC name of 4-chloro-1-methoxy-N-(2-thiophen-2-ylethyl)butan-2-amine (CID 106152704) is 4-chloro-1-methoxy-N-(2-thiophen-2-ylethyl)butan-2-amine.
What is the SMILES notation for 4-chloro-1-methoxy-N-(2-thiophen-2-ylethyl)butan-2-amine?
The canonical SMILES for 4-chloro-1-methoxy-N-(2-thiophen-2-ylethyl)butan-2-amine is COCC(CCCl)NCCc1cccs1.
What is the InChIKey of 4-chloro-1-methoxy-N-(2-thiophen-2-ylethyl)butan-2-amine?
The InChIKey is XICOHNYDOHGYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNOS/c1-14-9-10(4-6-12)13-7-5-11-3-2-8-15-11/h2-3,8,10,13H,4-7,9H2,1H3.
What are the key properties of 4-chloro-1-methoxy-N-(2-thiophen-2-ylethyl)butan-2-amine?
4-chloro-1-methoxy-N-(2-thiophen-2-ylethyl)butan-2-amine has a molecular weight of 247.79 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methoxy-N-(2-thiophen-2-ylethyl)butan-2-amine is sourced from PubChem (CID 106152704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).