N-[(5-chlorothiophen-2-yl)methyl]-2-propan-2-yloxyethanamine

C10H16ClNOS — CID 62567503

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-propan-2-yloxyethanamine
SMILESCC(C)OCCNCc1ccc(Cl)s1
InChIInChI=1S/C10H16ClNOS/c1-8(2)13-6-5-12-7-9-3-4-10(11)14-9/h3-4,8,12H,5-7H2,1-2H3
InChIKeyLRGPGZCAEHGRFQ-UHFFFAOYSA-N
MW233.76 g/mol
LogP2.92
Rot. Bonds6

About N-[(5-chlorothiophen-2-yl)methyl]-2-propan-2-yloxyethanamine

N-[(5-chlorothiophen-2-yl)methyl]-2-propan-2-yloxyethanamine (PubChem CID 62567503) has the molecular formula C10H16ClNOS and a molecular weight of 233.76 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-propan-2-yloxyethanamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-propan-2-yloxyethanamine
PubChem CID62567503
Molecular FormulaC10H16ClNOS
Molecular Weight233.76 g/mol
Exact Mass233.06
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-propan-2-yloxyethanamine
SMILESCC(C)OCCNCc1ccc(Cl)s1
InChIInChI=1S/C10H16ClNOS/c1-8(2)13-6-5-12-7-9-3-4-10(11)14-9/h3-4,8,12H,5-7H2,1-2H3
InChIKeyLRGPGZCAEHGRFQ-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
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-[(5-chlorothiophen-2-yl)methyl]-2-methoxyethanamine
CID 28565625
N-[(5-bromothiophen-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 61484771
2-(2-chloroethoxy)-N-[(5-chlorothiophen-2-yl)methyl]ethanamine
CID 65023787
N-[(5-methylthiophen-2-yl)methyl]-2-(2-propan-2-yloxyethoxy)ethanamine
CID 62570788
2-[(5-chlorothiophen-2-yl)methylamino]ethanol
CID 28878613
N-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylbutan-1-amine
CID 64570073
N-[(5-chlorothiophen-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904677
N-[(5-chlorothiophen-2-yl)methyl]-2-phenylmethoxyethanamine
CID 62567648
N-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-N'-propylethane-1,2-diamine
CID 62559997
N-[(5-chlorothiophen-2-yl)methyl]-2-(3,4-dimethylcyclohexyl)oxyethanamine
CID 64739740
N-[(5-chlorothiophen-2-yl)methyl]pent-3-yn-1-amine
CID 104806987
N-[(5-chlorothiophen-2-yl)methyl]-N',N'-diethylethane-1,2-diamine
CID 28580132

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-propan-2-yloxyethanamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-propan-2-yloxyethanamine (CID 62567503) is N-[(5-chlorothiophen-2-yl)methyl]-2-propan-2-yloxyethanamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-propan-2-yloxyethanamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-propan-2-yloxyethanamine is CC(C)OCCNCc1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-propan-2-yloxyethanamine?
The InChIKey is LRGPGZCAEHGRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNOS/c1-8(2)13-6-5-12-7-9-3-4-10(11)14-9/h3-4,8,12H,5-7H2,1-2H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-propan-2-yloxyethanamine?
N-[(5-chlorothiophen-2-yl)methyl]-2-propan-2-yloxyethanamine has a molecular weight of 233.76 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-propan-2-yloxyethanamine is sourced from PubChem (CID 62567503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).