1-(4-bromo-5-chlorothiophen-2-yl)-N-cyclopentyloxymethanamine

C10H13BrClNOS — CID 102837218

IUPAC1-(4-bromo-5-chlorothiophen-2-yl)-N-cyclopentyloxymethanamine
SMILESClc1sc(CNOC2CCCC2)cc1Br
InChIInChI=1S/C10H13BrClNOS/c11-9-5-8(15-10(9)12)6-13-14-7-3-1-2-4-7/h5,7,13H,1-4,6H2
InChIKeyCFRXZDODCWJCNP-UHFFFAOYSA-N
MW310.64 g/mol
LogP4.13
Rot. Bonds4

About 1-(4-bromo-5-chlorothiophen-2-yl)-N-cyclopentyloxymethanamine

1-(4-bromo-5-chlorothiophen-2-yl)-N-cyclopentyloxymethanamine (PubChem CID 102837218) has the molecular formula C10H13BrClNOS and a molecular weight of 310.64 g/mol. Its IUPAC name is 1-(4-bromo-5-chlorothiophen-2-yl)-N-cyclopentyloxymethanamine.

Molecular Properties

Compound Name1-(4-bromo-5-chlorothiophen-2-yl)-N-cyclopentyloxymethanamine
PubChem CID102837218
Molecular FormulaC10H13BrClNOS
Molecular Weight310.64 g/mol
Exact Mass308.96
IUPAC Name1-(4-bromo-5-chlorothiophen-2-yl)-N-cyclopentyloxymethanamine
SMILESClc1sc(CNOC2CCCC2)cc1Br
InChIInChI=1S/C10H13BrClNOS/c11-9-5-8(15-10(9)12)6-13-14-7-3-1-2-4-7/h5,7,13H,1-4,6H2
InChIKeyCFRXZDODCWJCNP-UHFFFAOYSA-N
XLogP4.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.64
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-bromo-5-chlorothiophen-2-yl)methyl]cyclobutanamine
CID 102835424
1-(5-chlorothiophen-2-yl)-N-cyclopentyloxymethanamine
CID 83228817
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-3-cyclopentylpropan-1-amine
CID 106007961
2-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]cyclohexan-1-ol
CID 102836063
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-ethylcyclobutan-1-amine
CID 102837609
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 102836459
N-cyclopentyloxy-1-(3,5-dichlorophenyl)methanamine
CID 83229356
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]propan-2-amine
CID 102829960
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 102835162
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-3-ethoxypropan-1-amine
CID 102830641
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2-dimethylcyclopropan-1-amine
CID 102835259
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-methylazetidin-3-amine
CID 130679569

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-N-cyclopentyloxymethanamine?
The IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-N-cyclopentyloxymethanamine (CID 102837218) is 1-(4-bromo-5-chlorothiophen-2-yl)-N-cyclopentyloxymethanamine.
What is the SMILES notation for 1-(4-bromo-5-chlorothiophen-2-yl)-N-cyclopentyloxymethanamine?
The canonical SMILES for 1-(4-bromo-5-chlorothiophen-2-yl)-N-cyclopentyloxymethanamine is Clc1sc(CNOC2CCCC2)cc1Br.
What is the InChIKey of 1-(4-bromo-5-chlorothiophen-2-yl)-N-cyclopentyloxymethanamine?
The InChIKey is CFRXZDODCWJCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNOS/c11-9-5-8(15-10(9)12)6-13-14-7-3-1-2-4-7/h5,7,13H,1-4,6H2.
What are the key properties of 1-(4-bromo-5-chlorothiophen-2-yl)-N-cyclopentyloxymethanamine?
1-(4-bromo-5-chlorothiophen-2-yl)-N-cyclopentyloxymethanamine has a molecular weight of 310.64 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-chlorothiophen-2-yl)-N-cyclopentyloxymethanamine is sourced from PubChem (CID 102837218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).