N-[2-(5-chlorothiophen-2-yl)ethyl]-1,1-dimethoxypropan-2-amine

C11H18ClNO2S — CID 106042292

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-1,1-dimethoxypropan-2-amine
SMILESCOC(OC)C(C)NCCc1ccc(Cl)s1
InChIInChI=1S/C11H18ClNO2S/c1-8(11(14-2)15-3)13-7-6-9-4-5-10(12)16-9/h4-5,8,11,13H,6-7H2,1-3H3
InChIKeyKHEZRHDWLUMDNB-UHFFFAOYSA-N
MW263.79 g/mol
LogP2.54
Rot. Bonds7

About N-[2-(5-chlorothiophen-2-yl)ethyl]-1,1-dimethoxypropan-2-amine

N-[2-(5-chlorothiophen-2-yl)ethyl]-1,1-dimethoxypropan-2-amine (PubChem CID 106042292) has the molecular formula C11H18ClNO2S and a molecular weight of 263.79 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-1,1-dimethoxypropan-2-amine.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-1,1-dimethoxypropan-2-amine
PubChem CID106042292
Molecular FormulaC11H18ClNO2S
Molecular Weight263.79 g/mol
Exact Mass263.07
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-1,1-dimethoxypropan-2-amine
SMILESCOC(OC)C(C)NCCc1ccc(Cl)s1
InChIInChI=1S/C11H18ClNO2S/c1-8(11(14-2)15-3)13-7-6-9-4-5-10(12)16-9/h4-5,8,11,13H,6-7H2,1-3H3
InChIKeyKHEZRHDWLUMDNB-UHFFFAOYSA-N
XLogP2.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.79
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxypropan-1-amine
CID 106046541
N-[2-(5-chlorothiophen-2-yl)ethyl]pentan-2-amine
CID 115713587
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-methoxyphenyl)propan-2-amine
CID 103779248
N-[2-(5-chlorothiophen-2-yl)ethyl]heptan-4-amine
CID 106042280
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-cyclopropyl-2-methylpropan-1-amine
CID 115713605
2-[1-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]benzene-1,3-diol
CID 106042146
3-[2-(5-chlorothiophen-2-yl)ethylamino]butanoic acid
CID 106036883
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 106041315
N-[2-(5-chlorothiophen-2-yl)ethyl]hexan-3-amine
CID 115905549
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 106041834
3-[2-(5-chlorothiophen-2-yl)ethylamino]pentanenitrile
CID 106046568
4-[1-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]-2-methoxyphenol
CID 106041991

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-1,1-dimethoxypropan-2-amine?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-1,1-dimethoxypropan-2-amine (CID 106042292) is N-[2-(5-chlorothiophen-2-yl)ethyl]-1,1-dimethoxypropan-2-amine.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-1,1-dimethoxypropan-2-amine?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-1,1-dimethoxypropan-2-amine is COC(OC)C(C)NCCc1ccc(Cl)s1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-1,1-dimethoxypropan-2-amine?
The InChIKey is KHEZRHDWLUMDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNO2S/c1-8(11(14-2)15-3)13-7-6-9-4-5-10(12)16-9/h4-5,8,11,13H,6-7H2,1-3H3.
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-1,1-dimethoxypropan-2-amine?
N-[2-(5-chlorothiophen-2-yl)ethyl]-1,1-dimethoxypropan-2-amine has a molecular weight of 263.79 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-1,1-dimethoxypropan-2-amine is sourced from PubChem (CID 106042292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).