1-chloro-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol

C10H16ClNOS — CID 112561777

IUPAC1-chloro-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
SMILESCN(CCc1cccs1)CC(O)CCl
InChIInChI=1S/C10H16ClNOS/c1-12(8-9(13)7-11)5-4-10-3-2-6-14-10/h2-3,6,9,13H,4-5,7-8H2,1H3
InChIKeyIIKWUBXYIALKIP-UHFFFAOYSA-N
MW233.76 g/mol
LogP1.82
Rot. Bonds6

About 1-chloro-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol

1-chloro-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol (PubChem CID 112561777) has the molecular formula C10H16ClNOS and a molecular weight of 233.76 g/mol. Its IUPAC name is 1-chloro-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
PubChem CID112561777
Molecular FormulaC10H16ClNOS
Molecular Weight233.76 g/mol
Exact Mass233.06
IUPAC Name1-chloro-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
SMILESCN(CCc1cccs1)CC(O)CCl
InChIInChI=1S/C10H16ClNOS/c1-12(8-9(13)7-11)5-4-10-3-2-6-14-10/h2-3,6,9,13H,4-5,7-8H2,1H3
InChIKeyIIKWUBXYIALKIP-UHFFFAOYSA-N
XLogP1.82
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.76
LogP ≤ 51.82
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

(2S)-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 94254566
1-[methyl(2-thiophen-2-ylethyl)amino]-3-(propan-2-ylamino)propan-2-ol
CID 79476363
2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 80668223
1-(2-methoxyethylamino)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 113317632
1-chloro-3-[ethyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 112561384
1-(4-aminophenoxy)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 79472265
2,2-diethoxy-N-methyl-N-(2-thiophen-2-ylethyl)ethanamine
CID 79486334
1-chloro-3-thiophen-2-ylpropan-2-ol
CID 82254078
5-chloro-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pentan-1-amine
CID 79485974
1-(2-fluorophenyl)-2-methyl-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
CID 115997187
2-bromo-3-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 80690433
2-methyl-3-[methyl(2-thiophen-2-ylethyl)amino]propanimidamide
CID 63774361

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol?
The IUPAC name of 1-chloro-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol (CID 112561777) is 1-chloro-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol.
What is the SMILES notation for 1-chloro-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol?
The canonical SMILES for 1-chloro-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol is CN(CCc1cccs1)CC(O)CCl.
What is the InChIKey of 1-chloro-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol?
The InChIKey is IIKWUBXYIALKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNOS/c1-12(8-9(13)7-11)5-4-10-3-2-6-14-10/h2-3,6,9,13H,4-5,7-8H2,1H3.
What are the key properties of 1-chloro-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol?
1-chloro-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol has a molecular weight of 233.76 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol is sourced from PubChem (CID 112561777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).