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

C10H16ClNOS — CID 106046541

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxypropan-1-amine
SMILESCOC(C)CNCCc1ccc(Cl)s1
InChIInChI=1S/C10H16ClNOS/c1-8(13-2)7-12-6-5-9-3-4-10(11)14-9/h3-4,8,12H,5-7H2,1-2H3
InChIKeyIJXBSSOEQHTYEL-UHFFFAOYSA-N
MW233.76 g/mol
LogP2.57
Rot. Bonds6

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

N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxypropan-1-amine (PubChem CID 106046541) has the molecular formula C10H16ClNOS and a molecular weight of 233.76 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxypropan-1-amine.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxypropan-1-amine
PubChem CID106046541
Molecular FormulaC10H16ClNOS
Molecular Weight233.76 g/mol
Exact Mass233.06
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxypropan-1-amine
SMILESCOC(C)CNCCc1ccc(Cl)s1
InChIInChI=1S/C10H16ClNOS/c1-8(13-2)7-12-6-5-9-3-4-10(11)14-9/h3-4,8,12H,5-7H2,1-2H3
InChIKeyIJXBSSOEQHTYEL-UHFFFAOYSA-N
XLogP2.57
TPSA21.26 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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(5-chlorothiophen-2-yl)ethyl]-1,1-dimethoxypropan-2-amine
CID 106042292
N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-difluoroethanamine
CID 106046426
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-methylpentan-1-amine
CID 102671613
methyl 2-acetamido-3-[2-(5-chlorothiophen-2-yl)ethylamino]propanoate
CID 106036862
2-(5-chlorothiophen-2-yl)-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 114140350
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylprop-2-en-1-amine
CID 106046390
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-ethoxypropan-1-amine
CID 106046471
3-(5-chlorothiophen-2-yl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 62725480
2-(5-chlorothiophen-2-yl)-N-[2-(2-methoxyphenoxy)ethyl]ethanamine
CID 106046477
methyl (E)-4-[2-(5-chlorothiophen-2-yl)ethylamino]-2-methylbut-2-enoate
CID 106036866
2-(5-chlorothiophen-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]ethanamine
CID 103617197
2-acetamido-3-[2-(5-chlorothiophen-2-yl)ethylamino]propanoic acid
CID 106036805

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxypropan-1-amine?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxypropan-1-amine (CID 106046541) is N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxypropan-1-amine.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxypropan-1-amine?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxypropan-1-amine is COC(C)CNCCc1ccc(Cl)s1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxypropan-1-amine?
The InChIKey is IJXBSSOEQHTYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNOS/c1-8(13-2)7-12-6-5-9-3-4-10(11)14-9/h3-4,8,12H,5-7H2,1-2H3.
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxypropan-1-amine?
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxypropan-1-amine has a molecular weight of 233.76 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxypropan-1-amine is sourced from PubChem (CID 106046541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).