1-chloro-3-[ethyl(thiophen-2-ylmethyl)amino]propan-2-ol

C10H16ClNOS — CID 112561384

IUPAC1-chloro-3-[ethyl(thiophen-2-ylmethyl)amino]propan-2-ol
SMILESCCN(Cc1cccs1)CC(O)CCl
InChIInChI=1S/C10H16ClNOS/c1-2-12(7-9(13)6-11)8-10-4-3-5-14-10/h3-5,9,13H,2,6-8H2,1H3
InChIKeyADWXFPQIQKDDLM-UHFFFAOYSA-N
MW233.76 g/mol
LogP2.17
Rot. Bonds6

About 1-chloro-3-[ethyl(thiophen-2-ylmethyl)amino]propan-2-ol

1-chloro-3-[ethyl(thiophen-2-ylmethyl)amino]propan-2-ol (PubChem CID 112561384) has the molecular formula C10H16ClNOS and a molecular weight of 233.76 g/mol. Its IUPAC name is 1-chloro-3-[ethyl(thiophen-2-ylmethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-[ethyl(thiophen-2-ylmethyl)amino]propan-2-ol
PubChem CID112561384
Molecular FormulaC10H16ClNOS
Molecular Weight233.76 g/mol
Exact Mass233.06
IUPAC Name1-chloro-3-[ethyl(thiophen-2-ylmethyl)amino]propan-2-ol
SMILESCCN(Cc1cccs1)CC(O)CCl
InChIInChI=1S/C10H16ClNOS/c1-2-12(7-9(13)6-11)8-10-4-3-5-14-10/h3-5,9,13H,2,6-8H2,1H3
InChIKeyADWXFPQIQKDDLM-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
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-(diethylamino)-3-thiophen-2-ylpropan-2-ol
CID 121219027
1-[ethyl(thiophen-2-ylmethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991861
1-chloro-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 112561777
2,2-diethoxy-N-ethyl-N-(thiophen-2-ylmethyl)ethanamine
CID 63619196
1-chloro-3-thiophen-2-ylpropan-2-ol
CID 82254078
N'-ethyl-1-phenyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61437521
(2R)-1-propan-2-yloxy-3-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 93161359
4-[ethyl(thiophen-2-ylmethyl)amino]butan-1-ol
CID 61437450
3-[2-methoxyethyl(thiophen-2-ylmethyl)amino]propane-1,2-diol
CID 46995993
2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369312
1-N,2-diethyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 79814982
2-ethyl-2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]butan-1-ol
CID 55055329

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[ethyl(thiophen-2-ylmethyl)amino]propan-2-ol?
The IUPAC name of 1-chloro-3-[ethyl(thiophen-2-ylmethyl)amino]propan-2-ol (CID 112561384) is 1-chloro-3-[ethyl(thiophen-2-ylmethyl)amino]propan-2-ol.
What is the SMILES notation for 1-chloro-3-[ethyl(thiophen-2-ylmethyl)amino]propan-2-ol?
The canonical SMILES for 1-chloro-3-[ethyl(thiophen-2-ylmethyl)amino]propan-2-ol is CCN(Cc1cccs1)CC(O)CCl.
What is the InChIKey of 1-chloro-3-[ethyl(thiophen-2-ylmethyl)amino]propan-2-ol?
The InChIKey is ADWXFPQIQKDDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNOS/c1-2-12(7-9(13)6-11)8-10-4-3-5-14-10/h3-5,9,13H,2,6-8H2,1H3.
What are the key properties of 1-chloro-3-[ethyl(thiophen-2-ylmethyl)amino]propan-2-ol?
1-chloro-3-[ethyl(thiophen-2-ylmethyl)amino]propan-2-ol has a molecular weight of 233.76 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[ethyl(thiophen-2-ylmethyl)amino]propan-2-ol is sourced from PubChem (CID 112561384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).