1-chloro-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpentan-3-amine

C11H17Cl2NS — CID 106353765

IUPAC1-chloro-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpentan-3-amine
SMILESCC(C)C(CCCl)NCc1ccc(Cl)s1
InChIInChI=1S/C11H17Cl2NS/c1-8(2)10(5-6-12)14-7-9-3-4-11(13)15-9/h3-4,8,10,14H,5-7H2,1-2H3
InChIKeyKZWBWPAKRDLGTI-UHFFFAOYSA-N
MW266.24 g/mol
LogP4.14
Rot. Bonds6

About 1-chloro-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpentan-3-amine

1-chloro-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpentan-3-amine (PubChem CID 106353765) has the molecular formula C11H17Cl2NS and a molecular weight of 266.24 g/mol. Its IUPAC name is 1-chloro-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpentan-3-amine.

Molecular Properties

Compound Name1-chloro-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpentan-3-amine
PubChem CID106353765
Molecular FormulaC11H17Cl2NS
Molecular Weight266.24 g/mol
Exact Mass265.05
IUPAC Name1-chloro-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpentan-3-amine
SMILESCC(C)C(CCCl)NCc1ccc(Cl)s1
InChIInChI=1S/C11H17Cl2NS/c1-8(2)10(5-6-12)14-7-9-3-4-11(13)15-9/h3-4,8,10,14H,5-7H2,1-2H3
InChIKeyKZWBWPAKRDLGTI-UHFFFAOYSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine
CID 43179335
(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine
CID 28564868
[1-(5-chlorothiophen-2-yl)-3-methylbutan-2-yl]hydrazine
CID 105199674
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
1-chloro-4-methyl-N-[(4-propan-2-ylphenyl)methyl]pentan-3-amine
CID 106353872
N-[(4-bromothiophen-2-yl)methyl]-1-chloro-4-methylpentan-3-amine
CID 106353716
(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 81356848
N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 43182699
(1R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 28683186
1-chloro-N-[(4-fluorophenyl)methyl]-4-methylpentan-3-amine
CID 106353768
(1R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 28653095

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpentan-3-amine?
The IUPAC name of 1-chloro-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpentan-3-amine (CID 106353765) is 1-chloro-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpentan-3-amine.
What is the SMILES notation for 1-chloro-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpentan-3-amine?
The canonical SMILES for 1-chloro-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpentan-3-amine is CC(C)C(CCCl)NCc1ccc(Cl)s1.
What is the InChIKey of 1-chloro-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpentan-3-amine?
The InChIKey is KZWBWPAKRDLGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17Cl2NS/c1-8(2)10(5-6-12)14-7-9-3-4-11(13)15-9/h3-4,8,10,14H,5-7H2,1-2H3.
What are the key properties of 1-chloro-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpentan-3-amine?
1-chloro-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpentan-3-amine has a molecular weight of 266.24 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpentan-3-amine is sourced from PubChem (CID 106353765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).